Changeset 3623 for Tutorials


Ignore:
Timestamp:
Sep 27, 2018 9:40:55 AM (3 years ago)
Author:
vondreele
Message:

revise to match new version of magnetism stuff

Location:
Tutorials/SimpleMagnetic
Files:
69 added
71 deleted
9 edited

Legend:

Unmodified
Added
Removed
  • Tutorials/SimpleMagnetic/SimpleMagnetic.htm

    r3611 r3623  
    2323  <o:Author>Von Dreele</o:Author>
    2424  <o:LastAuthor>vondreele</o:LastAuthor>
    25   <o:Revision>23</o:Revision>
    26   <o:TotalTime>6294</o:TotalTime>
     25  <o:Revision>26</o:Revision>
     26  <o:TotalTime>6370</o:TotalTime>
    2727  <o:Created>2017-08-09T17:16:00Z</o:Created>
    28   <o:LastSaved>2018-09-19T17:37:00Z</o:LastSaved>
    29   <o:Pages>49</o:Pages>
    30   <o:Words>5893</o:Words>
    31   <o:Characters>33592</o:Characters>
     28  <o:LastSaved>2018-09-27T14:38:00Z</o:LastSaved>
     29  <o:Pages>43</o:Pages>
     30  <o:Words>5925</o:Words>
     31  <o:Characters>33774</o:Characters>
    3232  <o:Company>Argonne National Laboratory</o:Company>
    33   <o:Lines>279</o:Lines>
    34   <o:Paragraphs>78</o:Paragraphs>
    35   <o:CharactersWithSpaces>39407</o:CharactersWithSpaces>
     33  <o:Lines>281</o:Lines>
     34  <o:Paragraphs>79</o:Paragraphs>
     35  <o:CharactersWithSpaces>39620</o:CharactersWithSpaces>
    3636  <o:Version>16.00</o:Version>
    3737 </o:DocumentProperties>
     
    17211721
    17221722<p class=MsoNormal>To have this result, one assumes that the neutron beam is
    1723 not polarized, the sample has no texture and there is only elastic scattering.
    1724 The first term is the ordinary nuclear structure factor found for all
    1725 crystalline materials and the second is the magnetic scattering. Note that the
    1726 result is a sum of squares implying that the nuclear and magnetic scattering
    1727 intensities are summed to give the total that is measured in a magnetic powder
    1728 diffraction experiment. This allows us to model the structure as two separate
    1729 crystalline phases; one consists of the arrangement of all the atoms in the
    1730 crystal structure described with a conventional unit cell and space group (the
    1731 chemical or sometimes &quot;nuclear&quot; structure), and the other contains
    1732 only the magnetic atoms in a perhaps different unit cell with a magnetic space
    1733 group to describe the atom and magnetic moment arrangement (the magnetic
    1734 structure). Needless to say the magnetic ions only have one set of positions,
    1735 both phases must describe the same atomic arrangement; positions of the
    1736 magnetic ions will be linked, as needed, by constraints between the phases in
    1737 order to maintain this arrangement.</p>
     1723not polarized and there is only elastic scattering. The first term is the
     1724ordinary nuclear structure factor found for all crystalline materials and the
     1725second is the magnetic scattering. Note that the result is a sum of squares
     1726implying that the nuclear and magnetic scattering intensities are summed to
     1727give the total that is measured in a magnetic powder diffraction experiment.
     1728This allows us to model the structure as two separate crystalline phases; one
     1729consists of the arrangement of all the atoms in the crystal structure described
     1730with a conventional unit cell and space group (the chemical or sometimes
     1731&quot;nuclear&quot; structure), and the other contains only the magnetic atoms
     1732in a perhaps different unit cell with a magnetic space group to describe the
     1733atom and magnetic moment arrangement (the magnetic structure). Needless to say
     1734the magnetic ions only have one set of positions, both phases must describe the
     1735same atomic arrangement; positions of the magnetic ions will be linked, as
     1736needed, by constraints between the phases in order to maintain this
     1737arrangement.</p>
    17381738
    17391739<p class=MsoNormal><o:p>&nbsp;</o:p></p>
     
    17541754style='mso-bidi-font-style:normal'>f<sub>m</sub></i></span>), the magnetic
    17551755moment magnitude (<i style='mso-bidi-font-style:normal'>S<sub>m</sub></i>) and
    1756 a scaling factor ~0.539x10<sup>-12</sup> cm which is on the same scale as the
     1756a scaling factor ~0.539x10<sup>-12</sup> cm and is on the same scale as the
    17571757normal neutron scattering lengths. Thus, magnetic scattering intensities are
    17581758similar to those from the chemical structure. The first term (<span
     
    18031803mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>xye</span></b></span>
    18041804format (angles in degrees) used by <span class=SpellE>Topas</span>, etc.<span
    1805 style='mso-spacerun:yes'>  </span>In those cases, you would change the file
    1806 directory to <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
    1807 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    1808 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>cif</span></b></span>
    1809 format or the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
    1810 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    1811 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>xye</span></b></span>
    1812 format (angles in degrees) used by <span class=SpellE>Topas</span>, etc. to see
    1813 them. Because you used <span style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:
    1814 minor-latin'>the </span><b style='mso-bidi-font-weight:normal'><span
     1805style='mso-spacerun:yes'>  </span>Because you used <span style='mso-fareast-font-family:
     1806Calibri;mso-fareast-theme-font:minor-latin'>the </span><b style='mso-bidi-font-weight:
     1807normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     1808minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
     1809mso-hansi-theme-font:minor-latin'>Help/Download tutorial</span></b><span
     1810style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
     1811menu entry to open this page and downloaded the exercise files (recommended),
     1812then the </span><span class=SpellE><b style='mso-bidi-font-weight:normal'><span
    18151813style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    18161814mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
    1817 minor-latin'>Help/Download tutorial</span></b><span style='mso-fareast-font-family:
    1818 Calibri;mso-fareast-theme-font:minor-latin'> menu entry to open this page and
    1819 downloaded the exercise files (recommended), then the </span><span
    1820 class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
    1821 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-fareast-font-family:
    1822 Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SimpleMagnetic</span></b></span><b
    1823 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    1824 mso-ascii-theme-font:minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:
    1825 minor-latin;mso-hansi-theme-font:minor-latin'>/data/...</span></b><span
    1826 style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
    1827 entry will bring you to the location where the files have been downloaded. (It is
    1828 also possible to download them manually from <a
     1815minor-latin'>SimpleMagnetic</span></b></span><b style='mso-bidi-font-weight:
     1816normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     1817minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
     1818mso-hansi-theme-font:minor-latin'>/data/...</span></b><span style='mso-fareast-font-family:
     1819Calibri;mso-fareast-theme-font:minor-latin'> entry will bring you to the
     1820location where the files have been downloaded. (It is also possible to download
     1821them manually from <a
    18291822href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SimpleMagnetic/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SimpleMagnetic/data/</a>.
    18301823In this case you will need to navigate to the download location manually.)<br>
     
    18781871 <v:imagedata src="SimpleMagnetic_files/image005.png" o:title=""/>
    18791872</v:shape><![endif]--><![if !vml]><img border=0 width=426 height=289
    1880 src="SimpleMagnetic_files/image003.png" v:shapes="Picture_x0020_3"><![endif]></span></h2>
     1873src="SimpleMagnetic_files/image037.png" v:shapes="Picture_x0020_3"><![endif]></span></h2>
    18811874
    18821875<p class=MsoNormal><span class=GramE>and</span> the plot window will show the
     
    18841877
    18851878<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1886  id="Picture_x0020_4" o:spid="_x0000_i1096" type="#_x0000_t75" style='width:468pt;
    1887  height:401.25pt;visibility:visible;mso-wrap-style:square'>
     1879 id="Picture_x0020_4" o:spid="_x0000_i1096" type="#_x0000_t75" style='width:359.25pt;
     1880 height:307.5pt;visibility:visible;mso-wrap-style:square'>
    18881881 <v:imagedata src="SimpleMagnetic_files/image007.png" o:title=""/>
    1889 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535
    1890 src="SimpleMagnetic_files/image004.png" v:shapes="Picture_x0020_4"><![endif]></span></p>
     1882</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=410
     1883src="SimpleMagnetic_files/image047.png" v:shapes="Picture_x0020_4"><![endif]></span></p>
    18911884
    18921885<h3>Step 2: Select Limits </h3>
     
    19251918
    19261919<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1927  id="Picture_x0020_5" o:spid="_x0000_i1095" type="#_x0000_t75" style='width:468pt;
    1928  height:401.25pt;visibility:visible;mso-wrap-style:square'>
     1920 id="Picture_x0020_5" o:spid="_x0000_i1095" type="#_x0000_t75" style='width:5in;
     1921 height:308.25pt;visibility:visible;mso-wrap-style:square'>
    19291922 <v:imagedata src="SimpleMagnetic_files/image009.png" o:title=""/>
    1930 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535
    1931 src="SimpleMagnetic_files/image006.png" v:shapes="Picture_x0020_5"><![endif]></span></p>
     1923</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=411
     1924src="SimpleMagnetic_files/image051.png" v:shapes="Picture_x0020_5"><![endif]></span></p>
    19321925
    19331926<h3>Step 3: Read in the chemical structure for LaMnO<sub>3</sub></h3>
     
    19401933mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    19411934minor-latin'>Import/Phase/from CIF file</span></b> menu item to read the phase
    1942 information for LaMnO<sub>3</sub> into the current GSAS-II project. This read option
    1943 is set to read Crystallographic Information Files (CIF). Other submenu items
    1944 will read phase information in other formats.<span style='mso-spacerun:yes'> 
    1945 </span>Because you used <span style='mso-fareast-font-family:Calibri;
    1946 mso-fareast-theme-font:minor-latin'>the </span><b style='mso-bidi-font-weight:
     1935information for LaMnO<sub>3</sub> into the current GSAS-II project. This read
     1936option is set to read Crystallographic Information Files (CIF). Other submenu
     1937items will read phase information in other formats.<span
     1938style='mso-spacerun:yes'>  </span>Because you used <span style='mso-fareast-font-family:
     1939Calibri;mso-fareast-theme-font:minor-latin'>the </span><b style='mso-bidi-font-weight:
    19471940normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    19481941minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
     
    20122005minor-latin'>OK</span></b>. The General tab for the phase is shown next<br>
    20132006<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_7"
    2014  o:spid="_x0000_i1093" type="#_x0000_t75" style='width:404.25pt;height:208.5pt;
     2007 o:spid="_x0000_i1093" type="#_x0000_t75" style='width:340.5pt;height:175.5pt;
    20152008 visibility:visible;mso-wrap-style:square'>
    20162009 <v:imagedata src="SimpleMagnetic_files/image012.png" o:title=""/>
    2017 </v:shape><![endif]--><![if !vml]><img border=0 width=539 height=278
    2018 src="SimpleMagnetic_files/image008.png" v:shapes="Picture_x0020_7"><![endif]></span></p>
     2010</v:shape><![endif]--><![if !vml]><img border=0 width=454 height=234
     2011src="SimpleMagnetic_files/image078.png" v:shapes="Picture_x0020_7"><![endif]></span></p>
    20192012
    20202013<h3>Step 4. Check powder pattern indexing</h3>
     
    20332026histogram (begins with PWDR); the Indexing controls will be shown<br>
    20342027<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_8"
    2035  o:spid="_x0000_i1092" type="#_x0000_t75" style='width:407.25pt;height:146.25pt;
     2028 o:spid="_x0000_i1092" type="#_x0000_t75" style='width:341.25pt;height:122.25pt;
    20362029 visibility:visible;mso-wrap-style:square'>
    20372030 <v:imagedata src="SimpleMagnetic_files/image014.png" o:title=""/>
    2038 </v:shape><![endif]--><![if !vml]><img border=0 width=543 height=195
    2039 src="SimpleMagnetic_files/image010.png" v:shapes="Picture_x0020_8"><![endif]></span></p>
     2031</v:shape><![endif]--><![if !vml]><img border=0 width=455 height=163
     2032src="SimpleMagnetic_files/image080.png" v:shapes="Picture_x0020_8"><![endif]></span></p>
    20402033
    20412034<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
    2042 auto'>This can be use lattice parameters &amp; space groups to generate expected
    2043 reflection positions to check against the peaks in the powder pattern. </p>
     2035auto'>This can use lattice parameters &amp; space groups to generate expected reflection
     2036positions to check against the peaks in the powder pattern. </p>
    20442037
    20452038<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
     
    20592052than one depending on what you loaded/created earlier. The <b style='mso-bidi-font-weight:
    20602053normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    2061 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Import</span></b>
    2062 menu item allows you to get lattice information from any one of the other phase
    2063 containing files known to GSAS-II. Press <b style='mso-bidi-font-weight:normal'><span
    2064 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    2065 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
    2066 and the Indexing controls will be change<br>
    2067 <span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_9"
    2068  o:spid="_x0000_i1091" type="#_x0000_t75" style='width:411pt;height:147.75pt;
     2054minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cell
     2055Index/Refine/Import</span></b> menu item allows you to get lattice information
     2056from any one of the other phase containing files known to GSAS-II. Press <b
     2057style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2058mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     2059minor-latin'>OK</span></b> and the Indexing controls will be change<br>
     2060<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_76"
     2061 o:spid="_x0000_i1091" type="#_x0000_t75" style='width:345pt;height:109.5pt;
    20692062 visibility:visible;mso-wrap-style:square'>
    2070  <v:imagedata src="SimpleMagnetic_files/image016.png" o:title=""/>
    2071 </v:shape><![endif]--><![if !vml]><img border=0 width=548 height=197
    2072 src="SimpleMagnetic_files/image013.png" v:shapes="Picture_x0020_9"><![endif]></span><br>
    2073 showing the lattice constants for LaMnO3 you had obtained from the <span
    2074 class=SpellE>cif</span> file. Note that the space group is set to that of the <span
    2075 class=SpellE>Bravais</span> lattice (P m <span class=SpellE>m</span> m) and not
    2076 the space group for LaMnO3 (P n m a).</p>
     2063 <v:imagedata src="SimpleMagnetic_files/image084.png" o:title=""/>
     2064</v:shape><![endif]--><![if !vml]><img border=0 width=460 height=146
     2065src="SimpleMagnetic_files/image081.png" v:shapes="Picture_x0020_76"><![endif]></span><br>
     2066showing the lattice constants for LaMnO<sub>3</sub> you had obtained from the <span
     2067class=SpellE>cif</span> file. Note that the space group is set to that of the space
     2068group for LaMnO<sub>3</sub> (P n m a) and the lines will reflect the extinction
     2069rules for this space group. </p>
    20772070
    20782071<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
    20792072auto;text-indent:-.25in;mso-list:l0 level1 lfo6'><![if !supportLists]><span
    20802073style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    2081 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Press
    2082 the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    2083 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    2084 minor-latin'>Show <span class=SpellE>hkl</span> positions</span></b> button;
    2085 after a short pause (while reflections are generated), the plot will show the
    2086 calculated reflection line positions.<br>
    2087 <span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_10"
    2088  o:spid="_x0000_i1090" type="#_x0000_t75" style='width:414pt;height:354.75pt;
     2074style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Change
     2075the space group to <b style='mso-bidi-font-weight:normal'><span
     2076style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     2077mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>P m <span
     2078class=SpellE>m</span> <span class=SpellE>m</span></span></b> to see all the
     2079lines for this lattice (near the bottom of the pull down); the indexing will
     2080immediately change<br style='mso-special-character:line-break'>
     2081<![if !supportLineBreakNewLine]><br style='mso-special-character:line-break'>
     2082<![endif]></p>
     2083
     2084<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
     2085auto'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_10"
     2086 o:spid="_x0000_i1090" type="#_x0000_t75" style='width:342pt;height:293.25pt;
    20892087 visibility:visible;mso-wrap-style:square'>
    20902088 <v:imagedata src="SimpleMagnetic_files/image018.png" o:title=""/>
    2091 </v:shape><![endif]--><![if !vml]><img border=0 width=552 height=473
    2092 src="SimpleMagnetic_files/image015.png" v:shapes="Picture_x0020_10"><![endif]></span></p>
     2089</v:shape><![endif]--><![if !vml]><img border=0 width=456 height=391
     2090src="SimpleMagnetic_files/image082.png" v:shapes="Picture_x0020_10"><![endif]></span></p>
    20932091
    20942092<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
    20952093auto'>This is the reflection set for the <span class=SpellE>Bravais</span><span
    20962094style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
    2097 lattice <span class=SpellE>Pmmm</span> which includes <span class=SpellE>relections</span>
    2098 that may be space group extinct and/or magnetically extinct. N.B., a reflection
    2099 that is extinct due to the chemical structure space group could still be
    2100 allowed for magnetic scattering.<o:p></o:p></span></p>
     2095lattice <span class=SpellE>Pmmm</span> which includes reflections that may be
     2096space group extinct and/or magnetically extinct. N.B., a reflection that is
     2097extinct due to the chemical structure space group could still be allowed for
     2098magnetic scattering.</span></p>
    21012099
    21022100<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
     
    21062104in on the lowest part of the pattern to see details of the indexing<br>
    21072105<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_11"
    2108  o:spid="_x0000_i1089" type="#_x0000_t75" style='width:411pt;height:352.5pt;
     2106 o:spid="_x0000_i1089" type="#_x0000_t75" style='width:340.5pt;height:291.75pt;
    21092107 visibility:visible;mso-wrap-style:square'>
    21102108 <v:imagedata src="SimpleMagnetic_files/image020.png" o:title=""/>
    2111 </v:shape><![endif]--><![if !vml]><img border=0 width=548 height=470
    2112 src="SimpleMagnetic_files/image017.png" v:shapes="Picture_x0020_11"><![endif]></span></p>
     2109</v:shape><![endif]--><![if !vml]><img border=0 width=454 height=389
     2110src="SimpleMagnetic_files/image083.png" v:shapes="Picture_x0020_11"><![endif]></span></p>
    21132111
    21142112<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
     
    21212119style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
    21222120style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Change
    2123 the space group to <b style='mso-bidi-font-weight:normal'><span
    2124 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    2125 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>P n m a</span></b>
    2126 (near the bottom of the pull down); the indexing will immediately change<br>
    2127 <span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_12"
    2128  o:spid="_x0000_i1088" type="#_x0000_t75" style='width:408pt;height:349.5pt;
    2129  visibility:visible;mso-wrap-style:square'>
     2121the space group back to <b style='mso-bidi-font-weight:normal'><span
     2122style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     2123mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>P m n a</span></b>
     2124(near the bottom of the pull down); the indexing will immediately change</p>
     2125
     2126<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
     2127auto'><span style='mso-no-proof:yes'><span style='mso-spacerun:yes'> </span><!--[if gte vml 1]><v:shape
     2128 id="Picture_x0020_12" o:spid="_x0000_i1088" type="#_x0000_t75" style='width:342pt;
     2129 height:293.25pt;visibility:visible;mso-wrap-style:square'>
    21302130 <v:imagedata src="SimpleMagnetic_files/image022.png" o:title=""/>
    2131 </v:shape><![endif]--><![if !vml]><img border=0 width=544 height=466
    2132 src="SimpleMagnetic_files/image019.png" v:shapes="Picture_x0020_12"><![endif]></span><br>
     2131</v:shape><![endif]--><![if !vml]><img border=0 width=456 height=391
     2132src="SimpleMagnetic_files/image085.png" v:shapes="Picture_x0020_12"><![endif]></span><br>
    21332133Notice that the 1<sup>st</sup> peak (as well as the contaminant) is no longer
    2134 indexed; this is likely to be a magnetic only peak as expected from an
    2135 antiferromagnet; there is another at ~34.4°2&#920;. Reset the space group to <b
    2136 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    2137 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    2138 minor-latin'>P m <span class=SpellE>m</span> <span class=SpellE>m</span></span></b>
    2139 and put the cursor on these two in turn; a popup box will tell you they are the
    2140 (0,1,0) and (0,1,2) reflections. The two straddling the contaminating peak are
    2141 the (1<span class=GramE>,0,0</span>) and (0,0,1) reflections; they may be
    2142 magnetically extinct. There are others that show for <span class=SpellE>Pmmm</span>
    2143 but vanish for <span class=SpellE>Pnma</span> and have no visible intensity. We
    2144 don’t know yet if they are magnetically allowed or are zero because of the
    2145 magnetic moment direction.</p>
     2134indexed; this is likely to be a <span class=GramE>magnetic</span> only peak as
     2135expected from an antiferromagnet; there is another at ~34.4°2&#920;. Reset the
     2136space group to <b style='mso-bidi-font-weight:normal'><span style='font-family:
     2137"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
     2138minor-latin;mso-bidi-theme-font:minor-latin'>P m <span class=SpellE>m</span> <span
     2139class=SpellE>m</span></span></b> and put the cursor on these two in turn; a
     2140popup box will tell you they are the (0,1,0) and (0,1,2) reflections. The two
     2141straddling the contaminating peak are the (1<span class=GramE>,0,0</span>) and
     2142(0,0,1) reflections; they may be magnetically extinct. There are others that
     2143show for <span class=SpellE>Pmmm</span> but vanish for <span class=SpellE>Pnma</span>
     2144and have no visible intensity. We don’t know yet if they are magnetically
     2145allowed or are zero because of the magnetic moment direction.</p>
    21462146
    21472147<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
     
    21592159<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
    21602160auto'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_13"
    2161  o:spid="_x0000_i1087" type="#_x0000_t75" style='width:405pt;height:146.25pt;
     2161 o:spid="_x0000_i1087" type="#_x0000_t75" style='width:339.75pt;height:123pt;
    21622162 visibility:visible;mso-wrap-style:square'>
    21632163 <v:imagedata src="SimpleMagnetic_files/image024.png" o:title=""/>
    2164 </v:shape><![endif]--><![if !vml]><img border=0 width=540 height=195
    2165 src="SimpleMagnetic_files/image021.png" v:shapes="Picture_x0020_13"><![endif]></span></p>
     2164</v:shape><![endif]--><![if !vml]><img border=0 width=453 height=164
     2165src="SimpleMagnetic_files/image086.png" v:shapes="Picture_x0020_13"><![endif]></span></p>
    21662166
    21672167<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
     
    22072207 <v:imagedata src="SimpleMagnetic_files/image026.png" o:title=""/>
    22082208</v:shape><![endif]--><![if !vml]><img border=0 width=256 height=214
    2209 src="SimpleMagnetic_files/image023.png" v:shapes="Picture_x0020_14"><![endif]></span></p>
     2209src="SimpleMagnetic_files/image087.png" v:shapes="Picture_x0020_14"><![endif]></span></p>
    22102210
    22112211<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
     
    22192219 <v:imagedata src="SimpleMagnetic_files/image028.png" o:title=""/>
    22202220</v:shape><![endif]--><![if !vml]><img border=0 width=256 height=214
    2221 src="SimpleMagnetic_files/image025.png" v:shapes="Picture_x0020_15"><![endif]></span></p>
     2221src="SimpleMagnetic_files/image088.png" v:shapes="Picture_x0020_15"><![endif]></span></p>
    22222222
    22232223<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto'>It
    22242224is worthwhile noticing that the inversion operator (-1) is red in the latter
    22252225but not in the former since an atom at an inversion center cannot have a
    2226 magnetic moment if there is also spin inversion. More about this later. Press <b
     2226magnetic moment if there is also spin inversion. More about this later. One
     2227other point is that certain space groups (e.g. P 2<sub>1</sub>2<sub>1</sub>2<sub>1</sub>)
     2228only allow an even number of spin inversions; GSAS-II will always enforce this
     2229by setting the spin flags accordingly, so getting a desired arrangement might
     2230take a bit of trial-and-error selection to get what you want. Press <b
    22272231style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    22282232mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     
    22362240<p class=MsoNormal>In the previous step we did not have to resort to any
    22372241doubling of a cell axis to explain the suite of magnetic reflections, so the
    2238 propagation vector is zero (in case anyone asks!). To make the magnetic cell
    2239 from the chemical cell we will use the transform tool that is in GSAS-II in the
    2240 General tab for the chemical structure. That tab is</p>
    2241 
    2242 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2243  id="Picture_x0020_16" o:spid="_x0000_i1084" type="#_x0000_t75" style='width:468pt;
    2244  height:230.25pt;visibility:visible;mso-wrap-style:square'>
     2242propagation vector is zero (we will see this in later magnetic tutorials). To
     2243make the magnetic cell from the chemical cell we will use the transform tool
     2244that is in GSAS-II in the General tab for the chemical structure. That tab is</p>
     2245
     2246<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     2247 id="Picture_x0020_16" o:spid="_x0000_i1084" type="#_x0000_t75" style='width:359.25pt;
     2248 height:177pt;visibility:visible;mso-wrap-style:square'>
    22452249 <v:imagedata src="SimpleMagnetic_files/image030.png" o:title=""/>
    2246 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=307
    2247 src="SimpleMagnetic_files/image027.png" v:shapes="Picture_x0020_16"><![endif]></span></p>
     2250</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=236
     2251src="SimpleMagnetic_files/image089.png" v:shapes="Picture_x0020_16"><![endif]></span></p>
    22482252
    22492253<p class=MsoNormal>Under the <b style='mso-bidi-font-weight:normal'><span
     
    22562260
    22572261<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2258  id="Picture_x0020_79" o:spid="_x0000_i1083" type="#_x0000_t75" style='width:274.5pt;
     2262 id="Picture_x0020_78" o:spid="_x0000_i1083" type="#_x0000_t75" style='width:274.5pt;
    22592263 height:315pt;visibility:visible;mso-wrap-style:square'>
    2260  <v:imagedata src="SimpleMagnetic_files/image092.png" o:title=""/>
     2264 <v:imagedata src="SimpleMagnetic_files/image097.png" o:title=""/>
    22612265</v:shape><![endif]--><![if !vml]><img border=0 width=366 height=420
    2262 src="SimpleMagnetic_files/image092.png" v:shapes="Picture_x0020_79"><![endif]></span></p>
     2266src="SimpleMagnetic_files/image097.png" v:shapes="Picture_x0020_78"><![endif]></span></p>
    22632267
    22642268<p class=MsoNormal>The order of operations for the transformation is given at
     
    23022306
    23032307<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2304  id="Picture_x0020_80" o:spid="_x0000_i1082" type="#_x0000_t75" style='width:274.5pt;
    2305  height:336pt;visibility:visible;mso-wrap-style:square'>
    2306  <v:imagedata src="SimpleMagnetic_files/image093.png" o:title=""/>
    2307 </v:shape><![endif]--><![if !vml]><img border=0 width=366 height=448
    2308 src="SimpleMagnetic_files/image093.png" v:shapes="Picture_x0020_80"><![endif]></span></p>
    2309 
    2310 <p class=MsoNormal>This allows one to select possible magnetic lattice
    2311 centering operations as given by the BNS nomenclature. This can be needed if
    2312 one had discovered a requirement of doubling a cell axis in the previous step (e.g.
    2313 a nonzero propagation vector). This is not required in this case and we are
    2314 using the space group (<span class=SpellE>Pnma</span>) for the magnetic cell.
    2315 Leave the box at the bottom about constraints checked as we want them to tie
    2316 the two phases together.<span style='mso-spacerun:yes'>  </span>Press <b
    2317 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    2318 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    2319 minor-latin'>Ok</span></b> to continue; a new popup will appear</p>
    2320 
    2321 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2322  id="_x0000_i1081" type="#_x0000_t75" style='width:181.5pt;height:80.25pt;
    2323  visibility:visible;mso-wrap-style:square'>
    2324  <v:imagedata src="SimpleMagnetic_files/image034.png" o:title=""/>
    2325 </v:shape><![endif]--><![if !vml]><img border=0 width=242 height=107
    2326 src="SimpleMagnetic_files/image034.png" v:shapes="_x0000_i1081"><![endif]></span></p>
     2308 id="Picture_x0020_79" o:spid="_x0000_i1082" type="#_x0000_t75" style='width:296.25pt;
     2309 height:348pt;visibility:visible;mso-wrap-style:square'>
     2310 <v:imagedata src="SimpleMagnetic_files/image098.png" o:title=""/>
     2311</v:shape><![endif]--><![if !vml]><img border=0 width=395 height=464
     2312src="SimpleMagnetic_files/image098.png" v:shapes="Picture_x0020_79"><![endif]></span></p>
     2313
     2314<p class=MsoNormal>This allows one to select possible magnetic spin inversions
     2315and lattice centering operations as given by the BNS nomenclature. This can be
     2316needed if one had discovered a requirement of doubling a cell axis in the
     2317previous step (e.g. a nonzero propagation vector). This is not required in this
     2318case and we are using the space group (<span class=SpellE>Pnma</span>) for the
     2319magnetic cell; we will be setting the spins (<span class=SpellE>mx<span
     2320class=GramE>,my,mz</span></span>) later as well. Leave the box at the bottom
     2321about constraints checked as we want them to tie the two phases together.<span
     2322style='mso-spacerun:yes'>  </span>Press <b style='mso-bidi-font-weight:normal'><span
     2323style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     2324mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>
     2325to continue; a new popup will appear</p>
     2326
     2327<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     2328 id="Picture_x0020_80" o:spid="_x0000_i1081" type="#_x0000_t75" style='width:258pt;
     2329 height:92.25pt;visibility:visible;mso-wrap-style:square'>
     2330 <v:imagedata src="SimpleMagnetic_files/image099.png" o:title=""/>
     2331</v:shape><![endif]--><![if !vml]><img border=0 width=344 height=123
     2332src="SimpleMagnetic_files/image099.png" v:shapes="Picture_x0020_80"><![endif]></span></p>
     2333
     2334<p class=MsoNormal>You see the magnetic atom position, allowed <span
     2335class=SpellE>magntic</span> moments and magnetic site symmetry.</p>
    23272336
    23282337<p class=MsoNormal>This allows one to reject certain atoms that are known to
    2329 not be magnetic; press <b style='mso-bidi-font-weight:normal'><span
    2330 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    2331 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>
    2332 to continue. A new phase will be created and the General tab for it will be
    2333 shown.</p>
    2334 
    2335 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2336  id="_x0000_i1080" type="#_x0000_t75" style='width:468pt;height:270pt;
     2338not be magnetic; press <span class=GramE><b style='mso-bidi-font-weight:normal'><span
     2339style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     2340mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Yes</span></b></span>
     2341to continue. A new phase will be created and the General tab for it will be shown.</p>
     2342
     2343<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     2344 id="_x0000_i1080" type="#_x0000_t75" style='width:357pt;height:206.25pt;
    23372345 visibility:visible;mso-wrap-style:square'>
    23382346 <v:imagedata src="SimpleMagnetic_files/image035.png" o:title=""/>
    2339 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=360
    2340 src="SimpleMagnetic_files/image029.png" v:shapes="_x0000_i1080"><![endif]></span></p>
     2347</v:shape><![endif]--><![if !vml]><img border=0 width=476 height=275
     2348src="SimpleMagnetic_files/image090.png" v:shapes="_x0000_i1080"><![endif]></span></p>
    23412349
    23422350<p class=MsoNormal>The phase is named with “mag” appended to the end, the phase
     
    23502358
    23512359<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2352  id="_x0000_i1079" type="#_x0000_t75" style='width:387.75pt;height:264.75pt;
    2353  visibility:visible;mso-wrap-style:square'>
    2354  <v:imagedata src="SimpleMagnetic_files/image037.png" o:title=""/>
    2355 </v:shape><![endif]--><![if !vml]><img border=0 width=517 height=353
    2356 src="SimpleMagnetic_files/image031.png" v:shapes="_x0000_i1079"><![endif]></span></p>
     2360 id="Picture_x0020_81" o:spid="_x0000_i1079" type="#_x0000_t75" style='width:360.75pt;
     2361 height:153.75pt;visibility:visible;mso-wrap-style:square'>
     2362 <v:imagedata src="SimpleMagnetic_files/image029.png" o:title=""/>
     2363</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=205
     2364src="SimpleMagnetic_files/image091.png" v:shapes="Picture_x0020_81"><![endif]></span></p>
    23572365
    23582366<p class=MsoNormal>This shows all the possible required constraints between the
    2359 chemical structure and the magnetic one. The first eight are for the <span
    2360 class=SpellE>Mn</span> atom; only the <span class=SpellE>Uiso</span> one is
    2361 probably necessary for this analysis but the others will do no harm. The last
    2362 three tie the lattices together. Select the <span class=SpellE><b
    2363 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    2364 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    2365 minor-latin'>Histgram</span></b></span><b style='mso-bidi-font-weight:normal'><span
    2366 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    2367 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>/Phase</span></b>
    2368 tab</p>
    2369 
    2370 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2371  id="Picture_x0020_22" o:spid="_x0000_i1078" type="#_x0000_t75" style='width:386.25pt;
    2372  height:139.5pt;visibility:visible;mso-wrap-style:square'>
     2367chemical structure and the magnetic one (the ones for <span class=SpellE>U<sub>ij</sub></span>
     2368are not generated). The first two are for the <span class=SpellE>Mn</span>
     2369atom; only the <span class=SpellE>Uiso</span> one is probably necessary for
     2370this analysis but the other one will do no harm. The last three tie the
     2371lattices together. Select the <span class=SpellE><b style='mso-bidi-font-weight:
     2372normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     2373minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Histgram</span></b></span><b
     2374style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2375mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     2376minor-latin'>/Phase</span></b> tab</p>
     2377
     2378<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     2379 id="Picture_x0020_22" o:spid="_x0000_i1078" type="#_x0000_t75" style='width:361.5pt;
     2380 height:130.5pt;visibility:visible;mso-wrap-style:square'>
    23732381 <v:imagedata src="SimpleMagnetic_files/image039.png" o:title=""/>
    2374 </v:shape><![endif]--><![if !vml]><img border=0 width=515 height=186
    2375 src="SimpleMagnetic_files/image032.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
     2382</v:shape><![endif]--><![if !vml]><img border=0 width=482 height=174
     2383src="SimpleMagnetic_files/image095.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
    23762384
    23772385<p class=MsoNormal>This gives the constraints between the two phases for scale
     
    24012409
    24022410<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2403  id="Picture_x0020_23" o:spid="_x0000_i1077" type="#_x0000_t75" style='width:468pt;
    2404  height:111.75pt;visibility:visible;mso-wrap-style:square'>
     2411 id="Picture_x0020_23" o:spid="_x0000_i1077" type="#_x0000_t75" style='width:358.5pt;
     2412 height:85.5pt;visibility:visible;mso-wrap-style:square'>
    24052413 <v:imagedata src="SimpleMagnetic_files/image041.png" o:title=""/>
    2406 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=149
    2407 src="SimpleMagnetic_files/image033.png" v:shapes="Picture_x0020_23"><![endif]></span></p>
     2414</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=114
     2415src="SimpleMagnetic_files/image100.png" v:shapes="Picture_x0020_23"><![endif]></span></p>
    24082416
    24092417<p class=MsoNormal>The boxes that carry the magnetic moment components (<span
     
    24362444
    24372445<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2438  id="Picture_x0020_24" o:spid="_x0000_i1076" type="#_x0000_t75" style='width:468pt;
    2439  height:231pt;visibility:visible;mso-wrap-style:square'>
     2446 id="Picture_x0020_24" o:spid="_x0000_i1076" type="#_x0000_t75" style='width:5in;
     2447 height:177.75pt;visibility:visible;mso-wrap-style:square'>
    24402448 <v:imagedata src="SimpleMagnetic_files/image043.png" o:title=""/>
    2441 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=308
    2442 src="SimpleMagnetic_files/image036.png" v:shapes="Picture_x0020_24"><![endif]></span></p>
     2449</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=237
     2450src="SimpleMagnetic_files/image101.png" v:shapes="Picture_x0020_24"><![endif]></span></p>
    24432451
    24442452<p class=MsoNormal>It now shows the magnetic space group as <span class=SpellE>Pn’ma</span>’.
     
    24482456
    24492457<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2450  id="Picture_x0020_25" o:spid="_x0000_i1075" type="#_x0000_t75" style='width:468pt;
    2451  height:121.5pt;visibility:visible;mso-wrap-style:square'>
     2458 id="Picture_x0020_25" o:spid="_x0000_i1075" type="#_x0000_t75" style='width:358.5pt;
     2459 height:93pt;visibility:visible;mso-wrap-style:square'>
    24522460 <v:imagedata src="SimpleMagnetic_files/image045.png" o:title=""/>
    2453 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=162
    2454 src="SimpleMagnetic_files/image038.png" v:shapes="Picture_x0020_25"><![endif]></span></p>
     2461</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=124
     2462src="SimpleMagnetic_files/image102.png" v:shapes="Picture_x0020_25"><![endif]></span></p>
    24552463
    24562464<p class=MsoNormal><span class=GramE>with</span> 0.0 in each of the magnetic
     
    24922500
    24932501<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2494  id="Picture_x0020_26" o:spid="_x0000_i1074" type="#_x0000_t75" style='width:315.75pt;
    2495  height:230.25pt;visibility:visible;mso-wrap-style:square'>
    2496  <v:imagedata src="SimpleMagnetic_files/image047.png" o:title=""/>
    2497 </v:shape><![endif]--><![if !vml]><img border=0 width=421 height=307
    2498 src="SimpleMagnetic_files/image040.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
     2502 id="Picture_x0020_82" o:spid="_x0000_i1074" type="#_x0000_t75" style='width:363.75pt;
     2503 height:154.5pt;visibility:visible;mso-wrap-style:square'>
     2504 <v:imagedata src="SimpleMagnetic_files/image029.png" o:title=""/>
     2505</v:shape><![endif]--><![if !vml]><img border=0 width=485 height=206
     2506src="SimpleMagnetic_files/image103.png" v:shapes="Picture_x0020_82"><![endif]></span></p>
    24992507
    25002508<p class=MsoNormal>Under the <b style='mso-bidi-font-weight:normal'><span
     
    25112519 <v:imagedata src="SimpleMagnetic_files/image049.png" o:title=""/>
    25122520</v:shape><![endif]--><![if !vml]><img border=0 width=444 height=225
    2513 src="SimpleMagnetic_files/image042.png" v:shapes="Picture_x0020_34"><![endif]></span></p>
     2521src="SimpleMagnetic_files/image105.png" v:shapes="Picture_x0020_34"><![endif]></span></p>
    25142522
    25152523<p class=MsoNormal>Scroll down to the bottom and select <b style='mso-bidi-font-weight:
     
    25232531
    25242532<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2525  id="Picture_x0020_35" o:spid="_x0000_i1072" type="#_x0000_t75" style='width:312pt;
    2526  height:227.25pt;visibility:visible;mso-wrap-style:square'>
    2527  <v:imagedata src="SimpleMagnetic_files/image051.png" o:title=""/>
    2528 </v:shape><![endif]--><![if !vml]><img border=0 width=416 height=303
    2529 src="SimpleMagnetic_files/image044.png" v:shapes="Picture_x0020_35"><![endif]></span></p>
     2533 id="Picture_x0020_83" o:spid="_x0000_i1072" type="#_x0000_t75" style='width:360.75pt;
     2534 height:180pt;visibility:visible;mso-wrap-style:square'>
     2535 <v:imagedata src="SimpleMagnetic_files/image042.png" o:title=""/>
     2536</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=240
     2537src="SimpleMagnetic_files/image107.png" v:shapes="Picture_x0020_83"><![endif]></span></p>
    25302538
    25312539<p class=MsoNormal>Now return to phases and select <b style='mso-bidi-font-weight:
     
    25422550 <v:imagedata src="SimpleMagnetic_files/image053.png" o:title=""/>
    25432551</v:shape><![endif]--><![if !vml]><img border=0 width=489 height=101
    2544 src="SimpleMagnetic_files/image046.png" v:shapes="Picture_x0020_37"><![endif]></span></p>
     2552src="SimpleMagnetic_files/image108.png" v:shapes="Picture_x0020_37"><![endif]></span></p>
    25452553
    25462554<p class=MsoNormal>The least squares will not begin a refinement of <span
     
    25592567
    25602568<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2561  id="Picture_x0020_30" o:spid="_x0000_i1070" type="#_x0000_t75" style='width:463.5pt;
    2562  height:425.25pt;visibility:visible;mso-wrap-style:square'>
     2569 id="Picture_x0020_30" o:spid="_x0000_i1070" type="#_x0000_t75" style='width:359.25pt;
     2570 height:329.25pt;visibility:visible;mso-wrap-style:square'>
    25632571 <v:imagedata src="SimpleMagnetic_files/image055.png" o:title=""/>
    2564 </v:shape><![endif]--><![if !vml]><img border=0 width=618 height=567
    2565 src="SimpleMagnetic_files/image048.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
     2572</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=439
     2573src="SimpleMagnetic_files/image109.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
    25662574
    25672575<p class=MsoNormal>There does not appear to be any calculated magnetic
     
    25702578
    25712579<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2572  id="Picture_x0020_31" o:spid="_x0000_i1069" type="#_x0000_t75" style='width:463.5pt;
    2573  height:425.25pt;visibility:visible;mso-wrap-style:square'>
     2580 id="Picture_x0020_31" o:spid="_x0000_i1069" type="#_x0000_t75" style='width:358.5pt;
     2581 height:329.25pt;visibility:visible;mso-wrap-style:square'>
    25742582 <v:imagedata src="SimpleMagnetic_files/image057.png" o:title=""/>
    2575 </v:shape><![endif]--><![if !vml]><img border=0 width=618 height=567
    2576 src="SimpleMagnetic_files/image050.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
     2583</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=439
     2584src="SimpleMagnetic_files/image113.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
    25772585
    25782586<p class=MsoNormal>The magnetic moment is clearly too small; to let the least
     
    25872595
    25882596<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2589  id="Picture_x0020_32" o:spid="_x0000_i1068" type="#_x0000_t75" style='width:463.5pt;
    2590  height:426pt;visibility:visible;mso-wrap-style:square'>
     2597 id="Picture_x0020_32" o:spid="_x0000_i1068" type="#_x0000_t75" style='width:359.25pt;
     2598 height:330pt;visibility:visible;mso-wrap-style:square'>
    25912599 <v:imagedata src="SimpleMagnetic_files/image059.png" o:title=""/>
    2592 </v:shape><![endif]--><![if !vml]><img border=0 width=618 height=568
    2593 src="SimpleMagnetic_files/image052.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
     2600</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=440
     2601src="SimpleMagnetic_files/image115.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
    25942602
    25952603<p class=MsoNormal>This appears to be a reasonable solution; a more complete
     
    26162624
    26172625<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2618  id="Picture_x0020_33" o:spid="_x0000_i1067" type="#_x0000_t75" style='width:465.75pt;
    2619  height:263.25pt;visibility:visible;mso-wrap-style:square'>
     2626 id="Picture_x0020_33" o:spid="_x0000_i1067" type="#_x0000_t75" style='width:360.75pt;
     2627 height:204pt;visibility:visible;mso-wrap-style:square'>
    26202628 <v:imagedata src="SimpleMagnetic_files/image061.png" o:title=""/>
    2621 </v:shape><![endif]--><![if !vml]><img border=0 width=621 height=351
    2622 src="SimpleMagnetic_files/image054.png" v:shapes="Picture_x0020_33"><![endif]></span></p>
     2629</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=272
     2630src="SimpleMagnetic_files/image116.png" v:shapes="Picture_x0020_33"><![endif]></span></p>
    26232631
    26242632<p class=MsoNormal>Now set the spin operators to all “<b style='mso-bidi-font-weight:
     
    26312639
    26322640<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2633  id="Picture_x0020_18" o:spid="_x0000_i1066" type="#_x0000_t75" style='width:464.25pt;
    2634  height:93pt;visibility:visible;mso-wrap-style:square'>
     2641 id="Picture_x0020_18" o:spid="_x0000_i1066" type="#_x0000_t75" style='width:358.5pt;
     2642 height:1in;visibility:visible;mso-wrap-style:square'>
    26352643 <v:imagedata src="SimpleMagnetic_files/image063.png" o:title=""/>
    2636 </v:shape><![endif]--><![if !vml]><img border=0 width=619 height=124
    2637 src="SimpleMagnetic_files/image056.png" v:shapes="Picture_x0020_18"><![endif]></span></p>
     2644</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=96
     2645src="SimpleMagnetic_files/image117.png" v:shapes="Picture_x0020_18"><![endif]></span></p>
    26382646
    26392647<p class=MsoNormal>Again, one can make the same argument that since the 010
     
    26612669
    26622670<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2663  id="Picture_x0020_19" o:spid="_x0000_i1065" type="#_x0000_t75" style='width:464.25pt;
    2664  height:426pt;visibility:visible;mso-wrap-style:square'>
     2671 id="Picture_x0020_19" o:spid="_x0000_i1065" type="#_x0000_t75" style='width:357.75pt;
     2672 height:328.5pt;visibility:visible;mso-wrap-style:square'>
    26652673 <v:imagedata src="SimpleMagnetic_files/image065.png" o:title=""/>
    2666 </v:shape><![endif]--><![if !vml]><img border=0 width=619 height=568
    2667 src="SimpleMagnetic_files/image058.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
     2674</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=438
     2675src="SimpleMagnetic_files/image118.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
    26682676
    26692677<p class=MsoNormal>There is intensity in the lowest angle reflection (the 010)
     
    26842692
    26852693<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2686  id="Picture_x0020_20" o:spid="_x0000_i1064" type="#_x0000_t75" style='width:459pt;
    2687  height:188.25pt;visibility:visible;mso-wrap-style:square'>
     2694 id="Picture_x0020_20" o:spid="_x0000_i1064" type="#_x0000_t75" style='width:357.75pt;
     2695 height:147pt;visibility:visible;mso-wrap-style:square'>
    26882696 <v:imagedata src="SimpleMagnetic_files/image104.png" o:title=""/>
    2689 </v:shape><![endif]--><![if !vml]><img border=0 width=612 height=251
    2690 src="SimpleMagnetic_files/image060.png" v:shapes="Picture_x0020_20"><![endif]></span></p>
    2691 
    2692 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2693  id="Picture_x0020_21" o:spid="_x0000_i1063" type="#_x0000_t75" style='width:456.75pt;
    2694  height:176.25pt;visibility:visible;mso-wrap-style:square'>
     2697</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=196
     2698src="SimpleMagnetic_files/image122.png" v:shapes="Picture_x0020_20"><![endif]></span></p>
     2699
     2700<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     2701 id="Picture_x0020_21" o:spid="_x0000_i1063" type="#_x0000_t75" style='width:357.75pt;
     2702 height:138pt;visibility:visible;mso-wrap-style:square'>
    26952703 <v:imagedata src="SimpleMagnetic_files/image106.png" o:title=""/>
    2696 </v:shape><![endif]--><![if !vml]><img border=0 width=609 height=235
    2697 src="SimpleMagnetic_files/image062.png" v:shapes="Picture_x0020_21"><![endif]></span></p>
     2704</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=184
     2705src="SimpleMagnetic_files/image123.png" v:shapes="Picture_x0020_21"><![endif]></span></p>
    26982706
    26992707<p class=MsoNormal>You can see in particular at the pair of peaks at 33.3 and
     
    27172725
    27182726<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2719  id="Picture_x0020_38" o:spid="_x0000_i1062" type="#_x0000_t75" style='width:454.5pt;
    2720  height:396pt;visibility:visible;mso-wrap-style:square'>
     2727 id="Picture_x0020_38" o:spid="_x0000_i1062" type="#_x0000_t75" style='width:359.25pt;
     2728 height:312.75pt;visibility:visible;mso-wrap-style:square'>
    27212729 <v:imagedata src="SimpleMagnetic_files/image110.png" o:title=""/>
    2722 </v:shape><![endif]--><![if !vml]><img border=0 width=606 height=528
    2723 src="SimpleMagnetic_files/image064.png" v:shapes="Picture_x0020_38"><![endif]></span></p>
     2730</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=417
     2731src="SimpleMagnetic_files/image124.png" v:shapes="Picture_x0020_38"><![endif]></span></p>
    27242732
    27252733<p class=MsoNormal>Looking at the plot, it would seem that the lattice
     
    27442752 <v:imagedata src="SimpleMagnetic_files/image114.png" o:title=""/>
    27452753</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=317
    2746 src="SimpleMagnetic_files/image066.png" v:shapes="Picture_x0020_39"><![endif]></span></p>
     2754src="SimpleMagnetic_files/image125.png" v:shapes="Picture_x0020_39"><![endif]></span></p>
    27472755
    27482756<p class=MsoNormal>Since the scan covers a very wide range in 2<span
     
    27762784
    27772785<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2778  id="Picture_x0020_40" o:spid="_x0000_i1060" type="#_x0000_t75" style='width:465pt;
    2779  height:404.25pt;visibility:visible;mso-wrap-style:square'>
     2786 id="Picture_x0020_40" o:spid="_x0000_i1060" type="#_x0000_t75" style='width:357.75pt;
     2787 height:311.25pt;visibility:visible;mso-wrap-style:square'>
    27802788 <v:imagedata src="SimpleMagnetic_files/image072.png" o:title=""/>
    2781 </v:shape><![endif]--><![if !vml]><img border=0 width=620 height=539
    2782 src="SimpleMagnetic_files/image068.png" v:shapes="Picture_x0020_40"><![endif]></span></p>
     2789</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=415
     2790src="SimpleMagnetic_files/image131.png" v:shapes="Picture_x0020_40"><![endif]></span></p>
    27832791
    27842792<p class=MsoNormal>Now we can add refinement of the atom positions and thermal
     
    28272835
    28282836<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2829  id="Picture_x0020_41" o:spid="_x0000_i1059" type="#_x0000_t75" style='width:461.25pt;
    2830  height:395.25pt;visibility:visible;mso-wrap-style:square'>
     2837 id="Picture_x0020_41" o:spid="_x0000_i1059" type="#_x0000_t75" style='width:5in;
     2838 height:307.5pt;visibility:visible;mso-wrap-style:square'>
    28312839 <v:imagedata src="SimpleMagnetic_files/image121.png" o:title=""/>
    2832 </v:shape><![endif]--><![if !vml]><img border=0 width=615 height=527
    2833 src="SimpleMagnetic_files/image070.png" v:shapes="Picture_x0020_41"><![endif]></span></p>
     2840</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=410
     2841src="SimpleMagnetic_files/image132.png" v:shapes="Picture_x0020_41"><![endif]></span></p>
    28342842
    28352843<p class=MsoNormal>This curve shows a couple of peaks which are from some contaminating
     
    28612869
    28622870<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2863  id="Picture_x0020_42" o:spid="_x0000_i1058" type="#_x0000_t75" style='width:461.25pt;
    2864  height:96.75pt;visibility:visible;mso-wrap-style:square'>
     2871 id="Picture_x0020_42" o:spid="_x0000_i1058" type="#_x0000_t75" style='width:359.25pt;
     2872 height:75pt;visibility:visible;mso-wrap-style:square'>
    28652873 <v:imagedata src="SimpleMagnetic_files/image111.png" o:title=""/>
    2866 </v:shape><![endif]--><![if !vml]><img border=0 width=615 height=129
    2867 src="SimpleMagnetic_files/image073.png" v:shapes="Picture_x0020_42"><![endif]></span></p>
     2874</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=100
     2875src="SimpleMagnetic_files/image133.png" v:shapes="Picture_x0020_42"><![endif]></span></p>
    28682876
    28692877<p class=MsoNormal><o:p>&nbsp;</o:p></p>
     
    28792887
    28802888<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2881  id="Picture_x0020_44" o:spid="_x0000_i1057" type="#_x0000_t75" style='width:462pt;
    2882  height:185.25pt;visibility:visible;mso-wrap-style:square'>
     2889 id="Picture_x0020_44" o:spid="_x0000_i1057" type="#_x0000_t75" style='width:5in;
     2890 height:2in;visibility:visible;mso-wrap-style:square'>
    28832891 <v:imagedata src="SimpleMagnetic_files/image119.png" o:title=""/>
    2884 </v:shape><![endif]--><![if !vml]><img border=0 width=616 height=247
    2885 src="SimpleMagnetic_files/image074.png" v:shapes="Picture_x0020_44"><![endif]></span></p>
     2892</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=192
     2893src="SimpleMagnetic_files/image135.png" v:shapes="Picture_x0020_44"><![endif]></span></p>
    28862894
    28872895<p class=MsoNormal>The plot will show the unit cell contents of <span
     
    28922900
    28932901<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2894  id="Picture_x0020_45" o:spid="_x0000_i1056" type="#_x0000_t75" style='width:457.5pt;
    2895  height:384.75pt;visibility:visible;mso-wrap-style:square'>
     2902 id="Picture_x0020_45" o:spid="_x0000_i1056" type="#_x0000_t75" style='width:360.75pt;
     2903 height:303.75pt;visibility:visible;mso-wrap-style:square'>
    28962904 <v:imagedata src="SimpleMagnetic_files/image126.png" o:title=""/>
    2897 </v:shape><![endif]--><![if !vml]><img border=0 width=610 height=513
    2898 src="SimpleMagnetic_files/image075.png" v:shapes="Picture_x0020_45"><![endif]></span></p>
     2905</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=405
     2906src="SimpleMagnetic_files/image137.png" v:shapes="Picture_x0020_45"><![endif]></span></p>
    28992907
    29002908<p class=MsoNormal>This completes this tutorial; you can save the project if
     
    29312939mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>xye</span></b></span>
    29322940format (angles in degrees) used by <span class=SpellE>Topas</span>, etc.<span
    2933 style='mso-spacerun:yes'>  </span>In those cases, you would change the file
    2934 directory to <b style='mso-bidi-font-weight:normal'><span style='font-family:
    2935 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    2936 minor-latin;mso-bidi-theme-font:minor-latin'>cif</span></b> format or the <span
    2937 class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
    2938 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    2939 minor-latin;mso-bidi-theme-font:minor-latin'>xye</span></b></span> format
    2940 (angles in degrees) used by <span class=SpellE>Topas</span>, etc. to see them.
    2941 Because you used <span style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:
    2942 minor-latin'>the </span><b style='mso-bidi-font-weight:normal'><span
     2941style='mso-spacerun:yes'>  </span>Because you used <span style='mso-fareast-font-family:
     2942Calibri;mso-fareast-theme-font:minor-latin'>the </span><b style='mso-bidi-font-weight:
     2943normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     2944minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
     2945mso-hansi-theme-font:minor-latin'>Help/Download tutorial</span></b><span
     2946style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
     2947menu entry to open this page and downloaded the exercise files (recommended),
     2948then the </span><span class=SpellE><b style='mso-bidi-font-weight:normal'><span
    29432949style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    29442950mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
    2945 minor-latin'>Help/Download tutorial</span></b><span style='mso-fareast-font-family:
    2946 Calibri;mso-fareast-theme-font:minor-latin'> menu entry to open this page and
    2947 downloaded the exercise files (recommended), then the </span><span
    2948 class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
    2949 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-fareast-font-family:
    2950 Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SimpleMagnetic</span></b></span><b
    2951 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    2952 mso-ascii-theme-font:minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:
    2953 minor-latin;mso-hansi-theme-font:minor-latin'>/data/...</span></b><span
    2954 style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
    2955 entry will bring you to the location where the files have been downloaded. (It
    2956 is also possible to download them manually from <a
     2951minor-latin'>SimpleMagnetic</span></b></span><b style='mso-bidi-font-weight:
     2952normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     2953minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
     2954mso-hansi-theme-font:minor-latin'>/data/...</span></b><span style='mso-fareast-font-family:
     2955Calibri;mso-fareast-theme-font:minor-latin'> entry will bring you to the
     2956location where the files have been downloaded. (It is also possible to download
     2957them manually from <a
    29572958href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SimpleMagnetic/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SimpleMagnetic/data/</a>.
    29582959In this case you will need to navigate to the download location manually.)<br>
     
    30063007 <v:imagedata src="SimpleMagnetic_files/image067.png" o:title=""/>
    30073008</v:shape><![endif]--><![if !vml]><img border=0 width=261 height=276
    3008 src="SimpleMagnetic_files/image076.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
     3009src="SimpleMagnetic_files/image139.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
    30093010
    30103011<p class=MsoNormal style='margin-left:.25in'><span class=GramE>and</span> the
     
    30123013
    30133014<p class=MsoNormal style='margin-left:.25in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3014  id="Picture_x0020_28" o:spid="_x0000_i1054" type="#_x0000_t75" style='width:447pt;
    3015  height:407.25pt;visibility:visible;mso-wrap-style:square'>
     3015 id="Picture_x0020_28" o:spid="_x0000_i1054" type="#_x0000_t75" style='width:341.25pt;
     3016 height:311.25pt;visibility:visible;mso-wrap-style:square'>
    30163017 <v:imagedata src="SimpleMagnetic_files/image069.png" o:title=""/>
    3017 </v:shape><![endif]--><![if !vml]><img border=0 width=596 height=543
    3018 src="SimpleMagnetic_files/image077.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
     3018</v:shape><![endif]--><![if !vml]><img border=0 width=455 height=415
     3019src="SimpleMagnetic_files/image161.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
    30193020
    30203021<h3>Step 2: Select Limits </h3>
     
    30413042minor-latin'>157.5</span></b>. Notice on the plot that the limit lines have
    30423043moved to these positions; the green lower limit is just below the small 1<sup>st</sup>
    3043 peak and the red upper limit is just below that last broad hump. You may also
    3044 drag the limit lines to the desired location or place them by a left mouse
    3045 click on a data point for the lower limit or a right click on a data point for
    3046 the upper limit.</p>
    3047 
    3048 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3049  id="Picture_x0020_29" o:spid="_x0000_i1053" type="#_x0000_t75" style='width:468pt;
    3050  height:426pt;visibility:visible;mso-wrap-style:square'>
     3044peak (at ~20°2&#920;) and the red upper limit is just below that last broad
     3045hump. You may also drag the limit lines to the desired location or place them
     3046by a left mouse click on a data point for the lower limit or a right click on a
     3047data point for the upper limit.</p>
     3048
     3049<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     3050 id="Picture_x0020_29" o:spid="_x0000_i1053" type="#_x0000_t75" style='width:358.5pt;
     3051 height:327pt;visibility:visible;mso-wrap-style:square'>
    30513052 <v:imagedata src="SimpleMagnetic_files/image071.png" o:title=""/>
    3052 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=568
    3053 src="SimpleMagnetic_files/image079.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
     3053</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=436
     3054src="SimpleMagnetic_files/image162.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
    30543055
    30553056<h3><a name="sucrose_peak_fit"></a>Step 3: Read in the chemical structure for
     
    31203121 <v:imagedata src="SimpleMagnetic_files/image134.png" o:title=""/>
    31213122</v:shape><![endif]--><![if !vml]><img border=0 width=280 height=224
    3122 src="SimpleMagnetic_files/image094.png" v:shapes="Picture_x0020_46"><![endif]></span></p>
     3123src="SimpleMagnetic_files/image163.png" v:shapes="Picture_x0020_46"><![endif]></span></p>
    31233124
    31243125<p class=MsoNormal style='margin-left:.25in'>Select the histogram (or press <b
     
    31303131The General tab for the phase is shown next<br>
    31313132<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_47"
    3132  o:spid="_x0000_i1051" type="#_x0000_t75" style='width:448.5pt;height:228pt;
     3133 o:spid="_x0000_i1051" type="#_x0000_t75" style='width:342pt;height:174pt;
    31333134 visibility:visible;mso-wrap-style:square'>
    31343135 <v:imagedata src="SimpleMagnetic_files/image136.png" o:title=""/>
    3135 </v:shape><![endif]--><![if !vml]><img border=0 width=598 height=304
    3136 src="SimpleMagnetic_files/image096.png" v:shapes="Picture_x0020_47"><![endif]></span></p>
     3136</v:shape><![endif]--><![if !vml]><img border=0 width=456 height=232
     3137src="SimpleMagnetic_files/image164.png" v:shapes="Picture_x0020_47"><![endif]></span></p>
    31373138
    31383139<p class=MsoNormal style='margin-left:.25in'>Notice that the space group from
     
    31543155the Indexing controls will be shown<br>
    31553156<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_48"
    3156  o:spid="_x0000_i1050" type="#_x0000_t75" style='width:466.5pt;height:165.75pt;
     3157 o:spid="_x0000_i1050" type="#_x0000_t75" style='width:359.25pt;height:127.5pt;
    31573158 visibility:visible;mso-wrap-style:square'>
    31583159 <v:imagedata src="SimpleMagnetic_files/image138.png" o:title=""/>
    3159 </v:shape><![endif]--><![if !vml]><img border=0 width=622 height=221
    3160 src="SimpleMagnetic_files/image112.png" v:shapes="Picture_x0020_48"><![endif]></span></p>
     3160</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=170
     3161src="SimpleMagnetic_files/image165.png" v:shapes="Picture_x0020_48"><![endif]></span></p>
    31613162
    31623163<p class=MsoListParagraphCxSpFirst style='margin-left:0in;mso-add-space:auto'>This
     
    31783179
    31793180<p class=MsoListParagraphCxSpLast style='margin-left:0in;mso-add-space:auto'><span
    3180 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_49"
    3181  o:spid="_x0000_i1049" type="#_x0000_t75" style='width:466.5pt;height:165.75pt;
     3181style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_84"
     3182 o:spid="_x0000_i1049" type="#_x0000_t75" style='width:363.75pt;height:117.75pt;
    31823183 visibility:visible;mso-wrap-style:square'>
    3183  <v:imagedata src="SimpleMagnetic_files/image143.png" o:title=""/>
    3184 </v:shape><![endif]--><![if !vml]><img border=0 width=622 height=221
    3185 src="SimpleMagnetic_files/image120.png" v:shapes="Picture_x0020_49"><![endif]></span><br
     3184 <v:imagedata src="SimpleMagnetic_files/image166.png" o:title=""/>
     3185</v:shape><![endif]--><![if !vml]><img border=0 width=485 height=157
     3186src="SimpleMagnetic_files/image167.png" v:shapes="Picture_x0020_84"><![endif]></span><br
    31863187style='mso-special-character:line-break'>
    31873188<![if !supportLineBreakNewLine]><br style='mso-special-character:line-break'>
    31883189<![endif]></p>
    31893190
    3190 <p class=MsoNormal><span class=GramE>showing</span> the lattice constants for
    3191 LaCaMnO<sub>3</sub> you had obtained from the <span class=SpellE>cif</span>
    3192 file. Note that the space group is set to that of the <span class=SpellE>Bravais</span>
    3193 lattice (P m <span class=SpellE>m</span> m) and not the space group for LaCaMnO<sub>3</sub>
    3194 (P b n m).</p>
    3195 
    3196 <p class=MsoListParagraphCxSpFirst style='margin-left:0in;mso-add-space:auto'>Press
    3197 the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    3198 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    3199 minor-latin'>Show <span class=SpellE>hkl</span> positions</span></b> button;
    3200 after a short pause (while reflections are generated), the plot will show the
    3201 calculated reflection line positions. Zoom in on the lowest part of the pattern
    3202 to see details of the indexing<span style='mso-no-proof:yes'> <!--[if gte vml 1]><v:shape
    3203  id="Picture_x0020_50" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:465.75pt;
    3204  height:327.75pt;visibility:visible;mso-wrap-style:square'>
     3191<p class=MsoNormal><span class=GramE>showing</span> the lattice constants and
     3192space group (P b n m) for LaCaMnO<sub>3</sub> you had obtained from the <span
     3193class=SpellE>cif</span> file. </p>
     3194
     3195<p class=MsoListParagraphCxSpFirst style='margin-left:0in;mso-add-space:auto'>Change
     3196the space group to <b style='mso-bidi-font-weight:normal'><span
     3197style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     3198mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>P m <span
     3199class=SpellE>m</span> <span class=SpellE>m</span></span></b>; after a short
     3200pause (while reflections are generated), the plot will show the calculated
     3201reflection line positions. Zoom in on the lowest part of the pattern to see
     3202details of the indexing<span style='mso-no-proof:yes'> <!--[if gte vml 1]><v:shape
     3203 id="Picture_x0020_50" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:5in;
     3204 height:253.5pt;visibility:visible;mso-wrap-style:square'>
    32053205 <v:imagedata src="SimpleMagnetic_files/image145.png" o:title=""/>
    3206 </v:shape><![endif]--><![if !vml]><img border=0 width=621 height=437
    3207 src="SimpleMagnetic_files/image127.png" v:shapes="Picture_x0020_50"><![endif]></span></p>
     3206</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=338
     3207src="SimpleMagnetic_files/image168.png" v:shapes="Picture_x0020_50"><![endif]></span></p>
    32083208
    32093209<p class=MsoListParagraphCxSpLast style='margin-left:0in;mso-add-space:auto'>Note
     
    32123212also a few seemingly misplaced unindexed lines (at 37.4, 53.9 &amp;
    3213321367.4°2&#920;); probably some contaminating minor phase. We’ll have to ignore
    3214 them. Change the space group to <span class=SpellE>Pbnm</span>; the indexing
    3215 will change.</p>
    3216 
    3217 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3218  id="Picture_x0020_51" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:468.75pt;
    3219  height:330pt;visibility:visible;mso-wrap-style:square'>
     3214them. Change the space group back to <b style='mso-bidi-font-weight:normal'><span
     3215style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     3216mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>P b n m</span></b>;
     3217the indexing will change.</p>
     3218
     3219<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     3220 id="Picture_x0020_51" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:359.25pt;
     3221 height:252.75pt;visibility:visible;mso-wrap-style:square'>
    32203222 <v:imagedata src="SimpleMagnetic_files/image147.png" o:title=""/>
    3221 </v:shape><![endif]--><![if !vml]><img border=0 width=625 height=440
    3222 src="SimpleMagnetic_files/image128.png" v:shapes="Picture_x0020_51"><![endif]></span><br>
     3223</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=337
     3224src="SimpleMagnetic_files/image169.png" v:shapes="Picture_x0020_51"><![endif]></span><br>
    32233225Then check the box <b style='mso-bidi-font-weight:normal'><span
    32243226style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     
    32293231<p class=MsoListParagraphCxSpFirst style='margin-left:0in;mso-add-space:auto'><span
    32303232style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_52"
    3231  o:spid="_x0000_i1046" type="#_x0000_t75" style='width:467.25pt;height:149.25pt;
     3233 o:spid="_x0000_i1046" type="#_x0000_t75" style='width:358.5pt;height:114.75pt;
    32323234 visibility:visible;mso-wrap-style:square'>
    32333235 <v:imagedata src="SimpleMagnetic_files/image149.png" o:title=""/>
    3234 </v:shape><![endif]--><![if !vml]><img border=0 width=623 height=199
    3235 src="SimpleMagnetic_files/image129.png" v:shapes="Picture_x0020_52"><![endif]></span></p>
     3236</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=153
     3237src="SimpleMagnetic_files/image177.png" v:shapes="Picture_x0020_52"><![endif]></span></p>
    32363238
    32373239<p class=MsoListParagraphCxSpLast style='margin-left:0in;mso-add-space:auto'>Because
     
    32533255<p class=MsoNormal>In the previous step we did not have to resort to any
    32543256doubling of a cell axis to explain the suite of magnetic reflections, so the
    3255 propagation vector is zero (in case anyone asks!). To make the magnetic cell
    3256 from the chemical cell we will use the transform tool that is in GSAS-II in the
    3257 General tab for the chemical structure. That tab is</p>
     3257propagation vector is zero. To make the magnetic cell from the chemical cell we
     3258will use the transform tool that is in GSAS-II in the General tab for the
     3259chemical structure. That tab is</p>
    32583260
    32593261<p class=MsoListParagraph style='margin-left:0in;mso-add-space:auto'><span
    32603262style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_53"
    3261  o:spid="_x0000_i1045" type="#_x0000_t75" style='width:467.25pt;height:206.25pt;
     3263 o:spid="_x0000_i1045" type="#_x0000_t75" style='width:359.25pt;height:158.25pt;
    32623264 visibility:visible;mso-wrap-style:square'>
    32633265 <v:imagedata src="SimpleMagnetic_files/image151.png" o:title=""/>
    3264 </v:shape><![endif]--><![if !vml]><img border=0 width=623 height=275
    3265 src="SimpleMagnetic_files/image130.png" v:shapes="Picture_x0020_53"><![endif]></span></p>
     3266</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=211
     3267src="SimpleMagnetic_files/image181.png" v:shapes="Picture_x0020_53"><![endif]></span></p>
    32663268
    32673269<p class=MsoNormal>Under the <b style='mso-bidi-font-weight:normal'><span
     
    32743276
    32753277<p class=MsoListParagraph style='margin-left:0in;mso-add-space:auto'><span
    3276 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_81"
     3278style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_85"
    32773279 o:spid="_x0000_i1044" type="#_x0000_t75" style='width:274.5pt;height:315pt;
    32783280 visibility:visible;mso-wrap-style:square'>
    3279  <v:imagedata src="SimpleMagnetic_files/image171.png" o:title=""/>
     3281 <v:imagedata src="SimpleMagnetic_files/image183.png" o:title=""/>
    32803282</v:shape><![endif]--><![if !vml]><img border=0 width=366 height=420
    3281 src="SimpleMagnetic_files/image171.png" v:shapes="Picture_x0020_81"><![endif]></span></p>
     3283src="SimpleMagnetic_files/image183.png" v:shapes="Picture_x0020_85"><![endif]></span></p>
    32823284
    32833285<p class=MsoNormal>The order of operations for the transformation is given at
     
    32903292
    32913293<p class=MsoListParagraph style='margin-left:0in;mso-add-space:auto'><span
    3292 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_82"
    3293  o:spid="_x0000_i1043" type="#_x0000_t75" style='width:274.5pt;height:336pt;
     3294style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_86"
     3295 o:spid="_x0000_i1043" type="#_x0000_t75" style='width:296.25pt;height:348pt;
    32943296 visibility:visible;mso-wrap-style:square'>
    3295  <v:imagedata src="SimpleMagnetic_files/image173.png" o:title=""/>
    3296 </v:shape><![endif]--><![if !vml]><img border=0 width=366 height=448
    3297 src="SimpleMagnetic_files/image173.png" v:shapes="Picture_x0020_82"><![endif]></span></p>
    3298 
    3299 <p class=MsoNormal>This allows one to select possible magnetic lattice centering
    3300 operations as given by the BNS nomenclature. This can be needed if one had
    3301 discovered a requirement of doubling a cell axis in the previous step (e.g. a
    3302 nonzero propagation vector). This is not required in this case and we are using
    3303 the same nonstandard space group (<span class=SpellE>Pnma</span>) for the
     3297 <v:imagedata src="SimpleMagnetic_files/image185.png" o:title=""/>
     3298</v:shape><![endif]--><![if !vml]><img border=0 width=395 height=464
     3299src="SimpleMagnetic_files/image185.png" v:shapes="Picture_x0020_86"><![endif]></span></p>
     3300
     3301<p class=MsoNormal>This allows one to select possible magnetic lattice
     3302centering operations as given by the BNS nomenclature and the spin inversions
     3303mx, my &amp; <span class=SpellE>mz</span> (we will do these later). This can be
     3304needed if one had discovered a requirement of doubling a cell axis in the
     3305previous step (e.g. a nonzero propagation vector). This is not required in this
     3306case and we are using the same nonstandard space group (P b n m) for the
    33043307magnetic cell that is used for the chemical cell. Leave the box at the bottom
    33053308about constraints checked as we want them to tie the two phases together.<span
     
    33103313
    33113314<p class=MsoListParagraph style='margin-left:0in;mso-add-space:auto'><span
    3312 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_56"
    3313  o:spid="_x0000_i1042" type="#_x0000_t75" style='width:147pt;height:65.25pt;
     3315style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_87"
     3316 o:spid="_x0000_i1042" type="#_x0000_t75" style='width:255.75pt;height:92.25pt;
    33143317 visibility:visible;mso-wrap-style:square'>
    3315  <v:imagedata src="SimpleMagnetic_files/image157.png" o:title=""/>
    3316 </v:shape><![endif]--><![if !vml]><img border=0 width=196 height=87
    3317 src="SimpleMagnetic_files/image140.png" v:shapes="Picture_x0020_56"><![endif]></span></p>
     3318 <v:imagedata src="SimpleMagnetic_files/image187.png" o:title=""/>
     3319</v:shape><![endif]--><![if !vml]><img border=0 width=341 height=123
     3320src="SimpleMagnetic_files/image187.png" v:shapes="Picture_x0020_87"><![endif]></span></p>
    33183321
    33193322<p class=MsoNormal>This allows one to reject certain atoms that are known to
     
    33263329<p class=MsoListParagraph style='margin-left:0in;mso-add-space:auto'><span
    33273330style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_57"
    3328  o:spid="_x0000_i1041" type="#_x0000_t75" style='width:464.25pt;height:273.75pt;
     3331 o:spid="_x0000_i1041" type="#_x0000_t75" style='width:358.5pt;height:210.75pt;
    33293332 visibility:visible;mso-wrap-style:square'>
    33303333 <v:imagedata src="SimpleMagnetic_files/image159.png" o:title=""/>
    3331 </v:shape><![endif]--><![if !vml]><img border=0 width=619 height=365
    3332 src="SimpleMagnetic_files/image141.png" v:shapes="Picture_x0020_57"><![endif]></span></p>
     3334</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=281
     3335src="SimpleMagnetic_files/image189.png" v:shapes="Picture_x0020_57"><![endif]></span></p>
    33333336
    33343337<p class=MsoNormal>The phase is named with “mag” appended to the end, the phase
     
    33503353<p class=MsoListParagraphCxSpMiddle style='margin-left:0in;mso-add-space:auto'><span
    33513354style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_58"
    3352  o:spid="_x0000_i1040" type="#_x0000_t75" style='width:468.75pt;height:107.25pt;
     3355 o:spid="_x0000_i1040" type="#_x0000_t75" style='width:362.25pt;height:83.25pt;
    33533356 visibility:visible;mso-wrap-style:square'>
    33543357 <v:imagedata src="SimpleMagnetic_files/image170.png" o:title=""/>
    3355 </v:shape><![endif]--><![if !vml]><img border=0 width=625 height=143
    3356 src="SimpleMagnetic_files/image142.png" v:shapes="Picture_x0020_58"><![endif]></span></p>
     3358</v:shape><![endif]--><![if !vml]><img border=0 width=483 height=111
     3359src="SimpleMagnetic_files/image191.png" v:shapes="Picture_x0020_58"><![endif]></span></p>
    33573360
    33583361<p class=MsoListParagraphCxSpMiddle style='margin-left:0in;mso-add-space:auto'>Notice
     
    33813384 <v:imagedata src="SimpleMagnetic_files/image172.png" o:title=""/>
    33823385</v:shape><![endif]--><![if !vml]><img border=0 width=320 height=266
    3383 src="SimpleMagnetic_files/image144.png" v:shapes="Picture_x0020_60"><![endif]></span></p>
     3386src="SimpleMagnetic_files/image193.png" v:shapes="Picture_x0020_60"><![endif]></span></p>
    33843387
    33853388<p class=MsoListParagraphCxSpMiddle style='margin-left:0in;mso-add-space:auto'>The
     
    33923395<p class=MsoListParagraphCxSpMiddle style='margin-left:0in;mso-add-space:auto'><span
    33933396style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_61"
    3394  o:spid="_x0000_i1038" type="#_x0000_t75" style='width:475.5pt;height:99.75pt;
     3397 o:spid="_x0000_i1038" type="#_x0000_t75" style='width:358.5pt;height:75pt;
    33953398 visibility:visible;mso-wrap-style:square'>
    33963399 <v:imagedata src="SimpleMagnetic_files/image174.png" o:title=""/>
    3397 </v:shape><![endif]--><![if !vml]><img border=0 width=634 height=133
    3398 src="SimpleMagnetic_files/image146.png" v:shapes="Picture_x0020_61"><![endif]></span></p>
     3400</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=100
     3401src="SimpleMagnetic_files/image194.png" v:shapes="Picture_x0020_61"><![endif]></span></p>
    33993402
    34003403<p class=MsoListParagraphCxSpLast style='margin-left:0in;mso-add-space:auto'>If
     
    34483451<p class=MsoListParagraphCxSpMiddle style='margin-left:0in;mso-add-space:auto'><span
    34493452style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_64"
    3450  o:spid="_x0000_i1037" type="#_x0000_t75" style='width:519pt;height:364.5pt;
     3453 o:spid="_x0000_i1037" type="#_x0000_t75" style='width:360.75pt;height:254.25pt;
    34513454 visibility:visible;mso-wrap-style:square'>
    34523455 <v:imagedata src="SimpleMagnetic_files/image176.png" o:title=""/>
    3453 </v:shape><![endif]--><![if !vml]><img border=0 width=692 height=486
    3454 src="SimpleMagnetic_files/image148.png" v:shapes="Picture_x0020_64"><![endif]></span></p>
     3456</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=339
     3457src="SimpleMagnetic_files/image195.png" v:shapes="Picture_x0020_64"><![endif]></span></p>
    34553458
    34563459<p class=MsoListParagraphCxSpLast style='margin-left:0in;mso-add-space:auto'>Clearly
     
    35193522
    35203523<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3521  id="Picture_x0020_63" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:468pt;
    3522  height:89.25pt;visibility:visible;mso-wrap-style:square'>
     3524 id="Picture_x0020_63" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:363.75pt;
     3525 height:69pt;visibility:visible;mso-wrap-style:square'>
    35233526 <v:imagedata src="SimpleMagnetic_files/image178.png" o:title=""/>
    3524 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=119
    3525 src="SimpleMagnetic_files/image150.png" v:shapes="Picture_x0020_63"><![endif]></span></p>
     3527</v:shape><![endif]--><![if !vml]><img border=0 width=485 height=92
     3528src="SimpleMagnetic_files/image196.png" v:shapes="Picture_x0020_63"><![endif]></span></p>
    35263529
    35273530<p class=MsoNormal>Then do <b style='mso-bidi-font-weight:normal'><span
     
    35323535
    35333536<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3534  id="Picture_x0020_65" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:468.75pt;
    3535  height:330pt;visibility:visible;mso-wrap-style:square'>
     3537 id="Picture_x0020_65" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:5in;
     3538 height:254.25pt;visibility:visible;mso-wrap-style:square'>
    35363539 <v:imagedata src="SimpleMagnetic_files/image180.png" o:title=""/>
    3537 </v:shape><![endif]--><![if !vml]><img border=0 width=625 height=440
    3538 src="SimpleMagnetic_files/image152.png" v:shapes="Picture_x0020_65"><![endif]></span></p>
     3540</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=339
     3541src="SimpleMagnetic_files/image197.png" v:shapes="Picture_x0020_65"><![endif]></span></p>
    35393542
    35403543<p class=MsoNormal><span class=GramE>and</span> the magnetic moment components
     
    35423545
    35433546<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3544  id="Picture_x0020_66" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:471.75pt;
    3545  height:92.25pt;visibility:visible;mso-wrap-style:square'>
     3547 id="Picture_x0020_66" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:5in;
     3548 height:70.5pt;visibility:visible;mso-wrap-style:square'>
    35463549 <v:imagedata src="SimpleMagnetic_files/image182.png" o:title=""/>
    3547 </v:shape><![endif]--><![if !vml]><img border=0 width=629 height=123
    3548 src="SimpleMagnetic_files/image153.png" v:shapes="Picture_x0020_66"><![endif]></span></p>
     3550</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=94
     3551src="SimpleMagnetic_files/image198.png" v:shapes="Picture_x0020_66"><![endif]></span></p>
    35493552
    35503553<p class=MsoNormal>So we test the next possibility.</p>
     
    35953598
    35963599<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3597  id="Picture_x0020_67" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:471.75pt;
    3598  height:331.5pt;visibility:visible;mso-wrap-style:square'>
     3600 id="Picture_x0020_67" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:359.25pt;
     3601 height:252pt;visibility:visible;mso-wrap-style:square'>
    35993602 <v:imagedata src="SimpleMagnetic_files/image184.png" o:title=""/>
    3600 </v:shape><![endif]--><![if !vml]><img border=0 width=629 height=442
    3601 src="SimpleMagnetic_files/image154.png" v:shapes="Picture_x0020_67"><![endif]></span></p>
     3603</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=336
     3604src="SimpleMagnetic_files/image199.png" v:shapes="Picture_x0020_67"><![endif]></span></p>
    36023605
    36033606<p class=MsoNormal>The <b style='mso-bidi-font-weight:normal'><span
     
    36093612
    36103613<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3611  id="Picture_x0020_68" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:472.5pt;
    3612  height:88.5pt;visibility:visible;mso-wrap-style:square'>
     3614 id="Picture_x0020_68" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:5in;
     3615 height:67.5pt;visibility:visible;mso-wrap-style:square'>
    36133616 <v:imagedata src="SimpleMagnetic_files/image186.png" o:title=""/>
    3614 </v:shape><![endif]--><![if !vml]><img border=0 width=630 height=118
    3615 src="SimpleMagnetic_files/image155.png" v:shapes="Picture_x0020_68"><![endif]></span></p>
     3617</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=90
     3618src="SimpleMagnetic_files/image200.png" v:shapes="Picture_x0020_68"><![endif]></span></p>
    36163619
    36173620<p class=MsoNormal>Let’s test the next one.</p>
     
    36603663
    36613664<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3662  id="Picture_x0020_69" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:471.75pt;
    3663  height:330.75pt;visibility:visible;mso-wrap-style:square'>
     3665 id="Picture_x0020_69" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:360.75pt;
     3666 height:252.75pt;visibility:visible;mso-wrap-style:square'>
    36643667 <v:imagedata src="SimpleMagnetic_files/image188.png" o:title=""/>
    3665 </v:shape><![endif]--><![if !vml]><img border=0 width=629 height=441
    3666 src="SimpleMagnetic_files/image156.png" v:shapes="Picture_x0020_69"><![endif]></span></p>
     3668</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=337
     3669src="SimpleMagnetic_files/image201.png" v:shapes="Picture_x0020_69"><![endif]></span></p>
    36673670
    36683671<p class=MsoNormal>The <b style='mso-bidi-font-weight:normal'><span
     
    36733676
    36743677<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3675  id="Picture_x0020_70" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:472.5pt;
    3676  height:94.5pt;visibility:visible;mso-wrap-style:square'>
     3678 id="Picture_x0020_70" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:360.75pt;
     3679 height:1in;visibility:visible;mso-wrap-style:square'>
    36773680 <v:imagedata src="SimpleMagnetic_files/image190.png" o:title=""/>
    3678 </v:shape><![endif]--><![if !vml]><img border=0 width=630 height=126
    3679 src="SimpleMagnetic_files/image158.png" v:shapes="Picture_x0020_70"><![endif]></span></p>
     3681</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=96
     3682src="SimpleMagnetic_files/image202.png" v:shapes="Picture_x0020_70"><![endif]></span></p>
    36803683
    36813684<p class=MsoNormal>We should now check the last spin configuration.</p>
     
    37223725
    37233726<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3724  id="Picture_x0020_71" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:474.75pt;
    3725  height:333pt;visibility:visible;mso-wrap-style:square'>
     3727 id="Picture_x0020_71" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:359.25pt;
     3728 height:251.25pt;visibility:visible;mso-wrap-style:square'>
    37263729 <v:imagedata src="SimpleMagnetic_files/image192.png" o:title=""/>
    3727 </v:shape><![endif]--><![if !vml]><img border=0 width=633 height=444
    3728 src="SimpleMagnetic_files/image160.png" v:shapes="Picture_x0020_71"><![endif]></span></p>
     3730</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=335
     3731src="SimpleMagnetic_files/image203.png" v:shapes="Picture_x0020_71"><![endif]></span></p>
    37293732
    37303733<p class=MsoNormal><span class=GramE>and</span> with the strong <span
     
    37333736
    37343737<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3735  id="Picture_x0020_72" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:477pt;
    3736  height:81pt;visibility:visible;mso-wrap-style:square'>
     3738 id="Picture_x0020_72" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:359.25pt;
     3739 height:60.75pt;visibility:visible;mso-wrap-style:square'>
    37373740 <v:imagedata src="SimpleMagnetic_files/image206.png" o:title=""/>
    3738 </v:shape><![endif]--><![if !vml]><img border=0 width=636 height=108
    3739 src="SimpleMagnetic_files/image175.png" v:shapes="Picture_x0020_72"><![endif]></span></p>
     3741</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=81
     3742src="SimpleMagnetic_files/image204.png" v:shapes="Picture_x0020_72"><![endif]></span></p>
    37403743
    37413744<p class=MsoNormal><o:p>&nbsp;</o:p></p>
     
    38003803 <v:imagedata src="SimpleMagnetic_files/image209.png" o:title=""/>
    38013804</v:shape><![endif]--><![if !vml]><img border=0 width=317 height=682
    3802 src="SimpleMagnetic_files/image179.png" v:shapes="Picture_x0020_73"><![endif]><!--[if gte vml 1]><v:shape
     3805src="SimpleMagnetic_files/image205.png" v:shapes="Picture_x0020_73"><![endif]><!--[if gte vml 1]><v:shape
    38033806 id="Picture_x0020_74" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:239.25pt;
    38043807 height:510pt;visibility:visible;mso-wrap-style:square'>
    38053808 <v:imagedata src="SimpleMagnetic_files/image211.png" o:title=""/>
    38063809</v:shape><![endif]--><![if !vml]><img border=0 width=319 height=680
    3807 src="SimpleMagnetic_files/image194.png" v:shapes="Picture_x0020_74"><![endif]></span></p>
     3810src="SimpleMagnetic_files/image207.png" v:shapes="Picture_x0020_74"><![endif]></span></p>
    38083811
    38093812<p class=MsoNormal>The magnetic peaks contributing to this peak are the 200,221
     
    38173820
    38183821<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3819  id="Picture_x0020_75" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:474pt;
    3820  height:501.75pt;visibility:visible;mso-wrap-style:square'>
     3822 id="Picture_x0020_75" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:5in;
     3823 height:381pt;visibility:visible;mso-wrap-style:square'>
    38213824 <v:imagedata src="SimpleMagnetic_files/image213.png" o:title=""/>
    3822 </v:shape><![endif]--><![if !vml]><img border=0 width=632 height=669
    3823 src="SimpleMagnetic_files/image195.png" v:shapes="Picture_x0020_75"><![endif]></span></p>
     3825</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=508
     3826src="SimpleMagnetic_files/image208.png" v:shapes="Picture_x0020_75"><![endif]></span></p>
    38243827
    38253828<p class=MsoNormal><span class=GramE>which</span> shows that the ferromagnetic
  • Tutorials/SimpleMagnetic/SimpleMagnetic_files/filelist.xml

    r3611 r3623  
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