Changeset 3611 for Tutorials


Ignore:
Timestamp:
Sep 19, 2018 12:45:33 PM (3 years ago)
Author:
vondreele
Message:

new tutorial - Magnetic-I & some fixes to Simple Magnetic

Location:
Tutorials
Files:
90 added
6 edited

Legend:

Unmodified
Added
Removed
  • Tutorials/SimpleMagnetic/SimpleMagnetic.htm

    r3604 r3611  
    2323  <o:Author>Von Dreele</o:Author>
    2424  <o:LastAuthor>vondreele</o:LastAuthor>
    25   <o:Revision>20</o:Revision>
    26   <o:TotalTime>6224</o:TotalTime>
     25  <o:Revision>23</o:Revision>
     26  <o:TotalTime>6294</o:TotalTime>
    2727  <o:Created>2017-08-09T17:16:00Z</o:Created>
    28   <o:LastSaved>2018-09-16T00:43:00Z</o:LastSaved>
    29   <o:Pages>1</o:Pages>
    30   <o:Words>5837</o:Words>
    31   <o:Characters>33274</o:Characters>
     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>
    3232  <o:Company>Argonne National Laboratory</o:Company>
    33   <o:Lines>277</o:Lines>
     33  <o:Lines>279</o:Lines>
    3434  <o:Paragraphs>78</o:Paragraphs>
    35   <o:CharactersWithSpaces>39033</o:CharactersWithSpaces>
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    16831684<h1>Simple Magnetic Structures in GSAS-II </h1>
    16841685
    1685 <P><B>A video version of this tutorial is available at
    1686 <A href="https://anl.box.com/v/SimpleMagnetic" target="_blank">
    1687 https://anl.box.com/v/SimpleMagnetic</A></B></P>
     1686<p><b>A video version of this tutorial is available at <a
     1687href="https://anl.box.com/v/SimpleMagnetic" target="_blank">https://anl.box.com/v/SimpleMagnetic</a></b></p>
    16881688
    16891689<h2>Introduction</h2>
     
    17171717 style='width:261pt;height:37.5pt;visibility:visible;mso-wrap-style:square'>
    17181718 <v:imagedata src="SimpleMagnetic_files/image001.png" o:title=""/>
    1719 </v:shape><![endif]--><![if !vml]><img width=348 height=50
     1719</v:shape><![endif]--><![if !vml]><img border=0 width=348 height=50
    17201720src="SimpleMagnetic_files/image001.png" v:shapes="Picture_x0020_1"><![endif]></span></p>
    17211721
    1722 <<<<<<< .mine
    17231722<p class=MsoNormal>To have this result, one assumes that the neutron beam is
    17241723not polarized, the sample has no texture and there is only elastic scattering.
     
    17281727intensities are summed to give the total that is measured in a magnetic powder
    17291728diffraction experiment. This allows us to model the structure as two separate
    1730 crystalline phases; one consists of the chemical arrangement of all the atoms
    1731 in the crystal structure described with a conventional unit cell and space
    1732 group, and the other contains only the magnetic atoms in a perhaps different
    1733 unit cell with a magnetic space group to describe the atom and magnetic moment
    1734 ||||||| .r3550
    1735 <p class=MsoNormal>To have this result, one assumes that the neutron beam is not
    1736 polarized, the sample has no texture and there is only elastic scattering. The
    1737 first term is the ordinary nuclear structure factor found for all crystalline
    1738 materials and the second is the magnetic scattering. Note that the result is a
    1739 sum of squares implying that the nuclear and magnetic scattering intensities
    1740 are summed to give the total that is measured in a magnetic powder diffraction
    1741 experiment. This allows us to model the structure as two separate crystalline
    1742 phases; one consists of the chemical arrangement of all the atoms in the
    1743 crystal structure described with a conventional unit cell and space group, and
    1744 the other contains only the magnetic atoms in a perhaps different unit cell
    1745 with a magnetic space group to describe the atom and magnetic moment
    1746 =======
    1747 <p class=MsoNormal>To have this result, one assumes that the neutron beam is not
    1748 polarized, the sample has no texture and there is only elastic scattering. The
    1749 first term is the ordinary nuclear structure factor found for all crystalline
    1750 materials and the second is the magnetic scattering. Note that the result is a
    1751 sum of squares implying that the nuclear and magnetic scattering intensities
    1752 are summed to give the total that is measured in a magnetic powder diffraction
    1753 experiment. This allows us to model the structure as two separate crystalline
    1754 phases; one consists of the arrangement of all the atoms in the
    1755 crystal structure described with a conventional unit cell and space
    1756 group (the chemical or sometimes "nuclear" structure), and
    1757 the other contains only the magnetic atoms in a perhaps different unit cell
    1758 with a magnetic space group to describe the atom and magnetic moment
    1759 >>>>>>> .r3603
    1760 arrangement (the magnetic structure).
    1761 Needless to say the magnetic ions only have one set of positions,
    1762 both phases must describe the same atomic
    1763 arrangement;  positions of the magnetic ions will be linked, as needed, by
    1764 constraints between the phases in order to maintain this arrangement.</p>
     1729crystalline phases; one consists of the arrangement of all the atoms in the
     1730crystal structure described with a conventional unit cell and space group (the
     1731chemical or sometimes &quot;nuclear&quot; structure), and the other contains
     1732only the magnetic atoms in a perhaps different unit cell with a magnetic space
     1733group to describe the atom and magnetic moment arrangement (the magnetic
     1734structure). Needless to say the magnetic ions only have one set of positions,
     1735both phases must describe the same atomic arrangement; positions of the
     1736magnetic ions will be linked, as needed, by constraints between the phases in
     1737order to maintain this arrangement.</p>
     1738
     1739<p class=MsoNormal><o:p>&nbsp;</o:p></p>
    17651740
    17661741<p class=MsoNormal>The magnetic scattering component has two factors</p>
     
    17721747 height:48pt;visibility:visible;mso-wrap-style:square'>
    17731748 <v:imagedata src="SimpleMagnetic_files/image002.png" o:title=""/>
    1774 </v:shape><![endif]--><![if !vml]><img width=138 height=64
     1749</v:shape><![endif]--><![if !vml]><img border=0 width=138 height=64
    17751750src="SimpleMagnetic_files/image002.png" v:shapes="Picture_x0020_2"><![endif]></span></p>
    17761751
     
    18501825minor-latin;mso-hansi-theme-font:minor-latin'>/data/...</span></b><span
    18511826style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
    1852 entry will bring you to the location where the files have been downloaded. (It
    1853 is also possible to download them manually from <a
     1827entry will bring you to the location where the files have been downloaded. (It is
     1828also possible to download them manually from <a
    18541829href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SimpleMagnetic/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SimpleMagnetic/data/</a>.
    18551830In this case you will need to navigate to the download location manually.)<br>
     
    19031878 <v:imagedata src="SimpleMagnetic_files/image005.png" o:title=""/>
    19041879</v:shape><![endif]--><![if !vml]><img border=0 width=426 height=289
    1905 src="SimpleMagnetic_files/image078.png" v:shapes="Picture_x0020_3"><![endif]></span></h2>
     1880src="SimpleMagnetic_files/image003.png" v:shapes="Picture_x0020_3"><![endif]></span></h2>
    19061881
    19071882<p class=MsoNormal><span class=GramE>and</span> the plot window will show the
     
    19131888 <v:imagedata src="SimpleMagnetic_files/image007.png" o:title=""/>
    19141889</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535
    1915 src="SimpleMagnetic_files/image080.png" v:shapes="Picture_x0020_4"><![endif]></span></p>
     1890src="SimpleMagnetic_files/image004.png" v:shapes="Picture_x0020_4"><![endif]></span></p>
    19161891
    19171892<h3>Step 2: Select Limits </h3>
     
    19231898be careful in selecting the lower limit especially for magnetic structure
    19241899studies as a small peak may be hidden at low angles that can decisively
    1925 determine a magnetic structure (there are none in this example, but
    1926 this issue will be apparent in the next example). Click on the <b style='mso-bidi-font-weight:
     1900determine a magnetic structure (there are none in this example, but this issue
     1901will be apparent in the next example). Click on the <b style='mso-bidi-font-weight:
    19271902normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    19281903minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Limits</span></b>
     
    19541929 <v:imagedata src="SimpleMagnetic_files/image009.png" o:title=""/>
    19551930</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535
    1956 src="SimpleMagnetic_files/image081.png" v:shapes="Picture_x0020_5"><![endif]></span></p>
     1931src="SimpleMagnetic_files/image006.png" v:shapes="Picture_x0020_5"><![endif]></span></p>
    19571932
    19581933<h3>Step 3: Read in the chemical structure for LaMnO<sub>3</sub></h3>
     
    19651940mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    19661941minor-latin'>Import/Phase/from CIF file</span></b> menu item to read the phase
    1967 information for LaMnO<sub>3</sub> into the current GSAS-II project. This read
    1968 option is set to read Crystallographic Information Files (CIF). Other submenu
    1969 items will read phase information in other formats.<span
    1970 style='mso-spacerun:yes'>  </span>Because you used <span style='mso-fareast-font-family:
    1971 Calibri;mso-fareast-theme-font:minor-latin'>the </span><b style='mso-bidi-font-weight:
     1942information for LaMnO<sub>3</sub> into the current GSAS-II project. This read option
     1943is set to read Crystallographic Information Files (CIF). Other submenu items
     1944will read phase information in other formats.<span style='mso-spacerun:yes'> 
     1945</span>Because you used <span style='mso-fareast-font-family:Calibri;
     1946mso-fareast-theme-font:minor-latin'>the </span><b style='mso-bidi-font-weight:
    19721947normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    19731948minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
     
    20412016 <v:imagedata src="SimpleMagnetic_files/image012.png" o:title=""/>
    20422017</v:shape><![endif]--><![if !vml]><img border=0 width=539 height=278
    2043 src="SimpleMagnetic_files/image082.png" v:shapes="Picture_x0020_7"><![endif]></span></p>
     2018src="SimpleMagnetic_files/image008.png" v:shapes="Picture_x0020_7"><![endif]></span></p>
    20442019
    20452020<h3>Step 4. Check powder pattern indexing</h3>
     
    20622037 <v:imagedata src="SimpleMagnetic_files/image014.png" o:title=""/>
    20632038</v:shape><![endif]--><![if !vml]><img border=0 width=543 height=195
    2064 src="SimpleMagnetic_files/image083.png" v:shapes="Picture_x0020_8"><![endif]></span></p>
     2039src="SimpleMagnetic_files/image010.png" v:shapes="Picture_x0020_8"><![endif]></span></p>
    20652040
    20662041<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
    2067 auto'>This can be use lattice parameters &amp; space groups to generate
    2068 expected reflection positions to check against the peaks in the powder pattern.
    2069 </p>
     2042auto'>This can be use lattice parameters &amp; space groups to generate expected
     2043reflection positions to check against the peaks in the powder pattern. </p>
    20702044
    20712045<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
     
    20962070 <v:imagedata src="SimpleMagnetic_files/image016.png" o:title=""/>
    20972071</v:shape><![endif]--><![if !vml]><img border=0 width=548 height=197
    2098 src="SimpleMagnetic_files/image084.png" v:shapes="Picture_x0020_9"><![endif]></span><br>
     2072src="SimpleMagnetic_files/image013.png" v:shapes="Picture_x0020_9"><![endif]></span><br>
    20992073showing the lattice constants for LaMnO3 you had obtained from the <span
    21002074class=SpellE>cif</span> file. Note that the space group is set to that of the <span
     
    21162090 <v:imagedata src="SimpleMagnetic_files/image018.png" o:title=""/>
    21172091</v:shape><![endif]--><![if !vml]><img border=0 width=552 height=473
    2118 src="SimpleMagnetic_files/image085.png" v:shapes="Picture_x0020_10"><![endif]></span></p>
     2092src="SimpleMagnetic_files/image015.png" v:shapes="Picture_x0020_10"><![endif]></span></p>
    21192093
    21202094<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
    2121 auto'>This is the reflection set for the <span class=SpellE>Bravais</span>
    2122 <<<<<<< .mine
    2123 lattice <span class=SpellE>Pmmm</span> which includes reflections that may be
    2124 space group extinct and/or magnetically extinct. NB: a reflection that is space
    2125 group extinct could still be allowed for magnetic scattering.</p>
    2126 ||||||| .r3550
    2127 lattice <span class=SpellE>Pmmm</span> which includes <span class=SpellE>relections</span>
    2128 that may be space group extinct and/or magnetically extinct. BN: a reflection
    2129 that is space group extinct could still be allowed for magnetic scattering.</p>
    2130 =======
     2095auto'>This is the reflection set for the <span class=SpellE>Bravais</span><span
     2096style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
    21312097lattice <span class=SpellE>Pmmm</span> which includes <span class=SpellE>relections</span>
    21322098that may be space group extinct and/or magnetically extinct. N.B., a reflection
    2133 that is extinct due to the chemical structure space group could still be allowed for magnetic scattering.</p>
    2134 >>>>>>> .r3603
     2099that is extinct due to the chemical structure space group could still be
     2100allowed for magnetic scattering.<o:p></o:p></span></p>
    21352101
    21362102<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
     
    21442110 <v:imagedata src="SimpleMagnetic_files/image020.png" o:title=""/>
    21452111</v:shape><![endif]--><![if !vml]><img border=0 width=548 height=470
    2146 src="SimpleMagnetic_files/image086.png" v:shapes="Picture_x0020_11"><![endif]></span></p>
     2112src="SimpleMagnetic_files/image017.png" v:shapes="Picture_x0020_11"><![endif]></span></p>
    21472113
    21482114<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
     
    21642130 <v:imagedata src="SimpleMagnetic_files/image022.png" o:title=""/>
    21652131</v:shape><![endif]--><![if !vml]><img border=0 width=544 height=466
    2166 src="SimpleMagnetic_files/image087.png" v:shapes="Picture_x0020_12"><![endif]></span><br>
     2132src="SimpleMagnetic_files/image019.png" v:shapes="Picture_x0020_12"><![endif]></span><br>
    21672133Notice that the 1<sup>st</sup> peak (as well as the contaminant) is no longer
    21682134indexed; this is likely to be a magnetic only peak as expected from an
     
    21972163 <v:imagedata src="SimpleMagnetic_files/image024.png" o:title=""/>
    21982164</v:shape><![endif]--><![if !vml]><img border=0 width=540 height=195
    2199 src="SimpleMagnetic_files/image088.png" v:shapes="Picture_x0020_13"><![endif]></span></p>
     2165src="SimpleMagnetic_files/image021.png" v:shapes="Picture_x0020_13"><![endif]></span></p>
    22002166
    22012167<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
     
    22412207 <v:imagedata src="SimpleMagnetic_files/image026.png" o:title=""/>
    22422208</v:shape><![endif]--><![if !vml]><img border=0 width=256 height=214
    2243 src="SimpleMagnetic_files/image089.png" v:shapes="Picture_x0020_14"><![endif]></span></p>
     2209src="SimpleMagnetic_files/image023.png" v:shapes="Picture_x0020_14"><![endif]></span></p>
    22442210
    22452211<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
     
    22532219 <v:imagedata src="SimpleMagnetic_files/image028.png" o:title=""/>
    22542220</v:shape><![endif]--><![if !vml]><img border=0 width=256 height=214
    2255 src="SimpleMagnetic_files/image090.png" v:shapes="Picture_x0020_15"><![endif]></span></p>
     2221src="SimpleMagnetic_files/image025.png" v:shapes="Picture_x0020_15"><![endif]></span></p>
    22562222
    22572223<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto'>It
     
    22682234<h3>Step 5. Make the magnetic phase</h3>
    22692235
    2270 <p class=MsoNormal>In the previous step we did not have to resort to any doubling
    2271 of a cell axis to explain the suite of magnetic reflections, so the propagation
    2272 vector is zero (in case anyone asks!). To make the magnetic cell from the
    2273 chemical cell we will use the transform tool that is in GSAS-II in the General
    2274 tab for the chemical structure. That tab is</p>
     2236<p class=MsoNormal>In the previous step we did not have to resort to any
     2237doubling of a cell axis to explain the suite of magnetic reflections, so the
     2238propagation vector is zero (in case anyone asks!). To make the magnetic cell
     2239from the chemical cell we will use the transform tool that is in GSAS-II in the
     2240General tab for the chemical structure. That tab is</p>
    22752241
    22762242<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     
    22792245 <v:imagedata src="SimpleMagnetic_files/image030.png" o:title=""/>
    22802246</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=307
    2281 src="SimpleMagnetic_files/image091.png" v:shapes="Picture_x0020_16"><![endif]></span></p>
     2247src="SimpleMagnetic_files/image027.png" v:shapes="Picture_x0020_16"><![endif]></span></p>
    22822248
    22832249<p class=MsoNormal>Under the <b style='mso-bidi-font-weight:normal'><span
     
    23722338 <v:imagedata src="SimpleMagnetic_files/image035.png" o:title=""/>
    23732339</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=360
    2374 src="SimpleMagnetic_files/image095.png" v:shapes="_x0000_i1080"><![endif]></span></p>
     2340src="SimpleMagnetic_files/image029.png" v:shapes="_x0000_i1080"><![endif]></span></p>
    23752341
    23762342<p class=MsoNormal>The phase is named with “mag” appended to the end, the phase
     
    23882354 <v:imagedata src="SimpleMagnetic_files/image037.png" o:title=""/>
    23892355</v:shape><![endif]--><![if !vml]><img border=0 width=517 height=353
    2390 src="SimpleMagnetic_files/image097.png" v:shapes="_x0000_i1079"><![endif]></span></p>
     2356src="SimpleMagnetic_files/image031.png" v:shapes="_x0000_i1079"><![endif]></span></p>
    23912357
    23922358<p class=MsoNormal>This shows all the possible required constraints between the
     
    24032369
    24042370<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2405  id="_x0000_i1078" type="#_x0000_t75" style='width:386.25pt;height:139.5pt;
    2406  visibility:visible;mso-wrap-style:square'>
     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'>
    24072373 <v:imagedata src="SimpleMagnetic_files/image039.png" o:title=""/>
    24082374</v:shape><![endif]--><![if !vml]><img border=0 width=515 height=186
    2409 src="SimpleMagnetic_files/image098.png" v:shapes="_x0000_i1078"><![endif]></span></p>
     2375src="SimpleMagnetic_files/image032.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
    24102376
    24112377<p class=MsoNormal>This gives the constraints between the two phases for scale
     
    24392405 <v:imagedata src="SimpleMagnetic_files/image041.png" o:title=""/>
    24402406</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=149
    2441 src="SimpleMagnetic_files/image099.png" v:shapes="Picture_x0020_23"><![endif]></span></p>
     2407src="SimpleMagnetic_files/image033.png" v:shapes="Picture_x0020_23"><![endif]></span></p>
    24422408
    24432409<p class=MsoNormal>The boxes that carry the magnetic moment components (<span
     
    24742440 <v:imagedata src="SimpleMagnetic_files/image043.png" o:title=""/>
    24752441</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=308
    2476 src="SimpleMagnetic_files/image100.png" v:shapes="Picture_x0020_24"><![endif]></span></p>
     2442src="SimpleMagnetic_files/image036.png" v:shapes="Picture_x0020_24"><![endif]></span></p>
    24772443
    24782444<p class=MsoNormal>It now shows the magnetic space group as <span class=SpellE>Pn’ma</span>’.
     
    24862452 <v:imagedata src="SimpleMagnetic_files/image045.png" o:title=""/>
    24872453</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=162
    2488 src="SimpleMagnetic_files/image101.png" v:shapes="Picture_x0020_25"><![endif]></span></p>
     2454src="SimpleMagnetic_files/image038.png" v:shapes="Picture_x0020_25"><![endif]></span></p>
    24892455
    24902456<p class=MsoNormal><span class=GramE>with</span> 0.0 in each of the magnetic
     
    25302496 <v:imagedata src="SimpleMagnetic_files/image047.png" o:title=""/>
    25312497</v:shape><![endif]--><![if !vml]><img border=0 width=421 height=307
    2532 src="SimpleMagnetic_files/image102.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
     2498src="SimpleMagnetic_files/image040.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
    25332499
    25342500<p class=MsoNormal>Under the <b style='mso-bidi-font-weight:normal'><span
     
    25452511 <v:imagedata src="SimpleMagnetic_files/image049.png" o:title=""/>
    25462512</v:shape><![endif]--><![if !vml]><img border=0 width=444 height=225
    2547 src="SimpleMagnetic_files/image103.png" v:shapes="Picture_x0020_34"><![endif]></span></p>
     2513src="SimpleMagnetic_files/image042.png" v:shapes="Picture_x0020_34"><![endif]></span></p>
    25482514
    25492515<p class=MsoNormal>Scroll down to the bottom and select <b style='mso-bidi-font-weight:
     
    25612527 <v:imagedata src="SimpleMagnetic_files/image051.png" o:title=""/>
    25622528</v:shape><![endif]--><![if !vml]><img border=0 width=416 height=303
    2563 src="SimpleMagnetic_files/image105.png" v:shapes="Picture_x0020_35"><![endif]></span></p>
     2529src="SimpleMagnetic_files/image044.png" v:shapes="Picture_x0020_35"><![endif]></span></p>
    25642530
    25652531<p class=MsoNormal>Now return to phases and select <b style='mso-bidi-font-weight:
     
    25762542 <v:imagedata src="SimpleMagnetic_files/image053.png" o:title=""/>
    25772543</v:shape><![endif]--><![if !vml]><img border=0 width=489 height=101
    2578 src="SimpleMagnetic_files/image107.png" v:shapes="Picture_x0020_37"><![endif]></span></p>
     2544src="SimpleMagnetic_files/image046.png" v:shapes="Picture_x0020_37"><![endif]></span></p>
    25792545
    25802546<p class=MsoNormal>The least squares will not begin a refinement of <span
     
    25972563 <v:imagedata src="SimpleMagnetic_files/image055.png" o:title=""/>
    25982564</v:shape><![endif]--><![if !vml]><img border=0 width=618 height=567
    2599 src="SimpleMagnetic_files/image108.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
     2565src="SimpleMagnetic_files/image048.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
    26002566
    26012567<p class=MsoNormal>There does not appear to be any calculated magnetic
     
    26082574 <v:imagedata src="SimpleMagnetic_files/image057.png" o:title=""/>
    26092575</v:shape><![endif]--><![if !vml]><img border=0 width=618 height=567
    2610 src="SimpleMagnetic_files/image109.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
     2576src="SimpleMagnetic_files/image050.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
    26112577
    26122578<p class=MsoNormal>The magnetic moment is clearly too small; to let the least
     
    26252591 <v:imagedata src="SimpleMagnetic_files/image059.png" o:title=""/>
    26262592</v:shape><![endif]--><![if !vml]><img border=0 width=618 height=568
    2627 src="SimpleMagnetic_files/image113.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
     2593src="SimpleMagnetic_files/image052.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
    26282594
    26292595<p class=MsoNormal>This appears to be a reasonable solution; a more complete
     
    26542620 <v:imagedata src="SimpleMagnetic_files/image061.png" o:title=""/>
    26552621</v:shape><![endif]--><![if !vml]><img border=0 width=621 height=351
    2656 src="SimpleMagnetic_files/image115.png" v:shapes="Picture_x0020_33"><![endif]></span></p>
     2622src="SimpleMagnetic_files/image054.png" v:shapes="Picture_x0020_33"><![endif]></span></p>
    26572623
    26582624<p class=MsoNormal>Now set the spin operators to all “<b style='mso-bidi-font-weight:
     
    26692635 <v:imagedata src="SimpleMagnetic_files/image063.png" o:title=""/>
    26702636</v:shape><![endif]--><![if !vml]><img border=0 width=619 height=124
    2671 src="SimpleMagnetic_files/image116.png" v:shapes="Picture_x0020_18"><![endif]></span></p>
     2637src="SimpleMagnetic_files/image056.png" v:shapes="Picture_x0020_18"><![endif]></span></p>
    26722638
    26732639<p class=MsoNormal>Again, one can make the same argument that since the 010
     
    26992665 <v:imagedata src="SimpleMagnetic_files/image065.png" o:title=""/>
    27002666</v:shape><![endif]--><![if !vml]><img border=0 width=619 height=568
    2701 src="SimpleMagnetic_files/image117.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
     2667src="SimpleMagnetic_files/image058.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
    27022668
    27032669<p class=MsoNormal>There is intensity in the lowest angle reflection (the 010)
     
    27152681examine a slightly higher angle region (30-55°2&#920;) and compare it with the
    27162682same region for the plot for the <span class=SpellE>Pn’ma</span>’ model (you’ll
    2717 need2 instances of GSAS-II running to do this)</p>
     2683need 2 instances of GSAS-II running to do this)</p>
    27182684
    27192685<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     
    27222688 <v:imagedata src="SimpleMagnetic_files/image104.png" o:title=""/>
    27232689</v:shape><![endif]--><![if !vml]><img border=0 width=612 height=251
    2724 src="SimpleMagnetic_files/image118.png" v:shapes="Picture_x0020_20"><![endif]></span></p>
    2725 
    2726 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2727  id="Picture_x0020_21" o:spid="_x0000_i1063" type="#_x0000_t75" style='width:457.5pt;
     2690src="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;
    27282694 height:176.25pt;visibility:visible;mso-wrap-style:square'>
    27292695 <v:imagedata src="SimpleMagnetic_files/image106.png" o:title=""/>
    2730 </v:shape><![endif]--><![if !vml]><img border=0 width=610 height=235
    2731 src="SimpleMagnetic_files/image122.png" v:shapes="Picture_x0020_21"><![endif]></span></p>
     2696</v:shape><![endif]--><![if !vml]><img border=0 width=609 height=235
     2697src="SimpleMagnetic_files/image062.png" v:shapes="Picture_x0020_21"><![endif]></span></p>
    27322698
    27332699<p class=MsoNormal>You can see in particular at the pair of peaks at 33.3 and
     
    27552721 <v:imagedata src="SimpleMagnetic_files/image110.png" o:title=""/>
    27562722</v:shape><![endif]--><![if !vml]><img border=0 width=606 height=528
    2757 src="SimpleMagnetic_files/image123.png" v:shapes="Picture_x0020_38"><![endif]></span></p>
     2723src="SimpleMagnetic_files/image064.png" v:shapes="Picture_x0020_38"><![endif]></span></p>
    27582724
    27592725<p class=MsoNormal>Looking at the plot, it would seem that the lattice
     
    27782744 <v:imagedata src="SimpleMagnetic_files/image114.png" o:title=""/>
    27792745</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=317
    2780 src="SimpleMagnetic_files/image124.png" v:shapes="Picture_x0020_39"><![endif]></span></p>
     2746src="SimpleMagnetic_files/image066.png" v:shapes="Picture_x0020_39"><![endif]></span></p>
    27812747
    27822748<p class=MsoNormal>Since the scan covers a very wide range in 2<span
     
    28142780 <v:imagedata src="SimpleMagnetic_files/image072.png" o:title=""/>
    28152781</v:shape><![endif]--><![if !vml]><img border=0 width=620 height=539
    2816 src="SimpleMagnetic_files/image125.png" v:shapes="Picture_x0020_40"><![endif]></span></p>
     2782src="SimpleMagnetic_files/image068.png" v:shapes="Picture_x0020_40"><![endif]></span></p>
    28172783
    28182784<p class=MsoNormal>Now we can add refinement of the atom positions and thermal
     
    28222788style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    28232789mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    2824 minor-latin'>La <span class=SpellE>Mn</span> O3</span></b> </p>
    2825 
    2826 <p class=MsoNormal>Phase, double click the refine column heading and select <b
    2827 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    2828 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    2829 minor-latin'>X</span></b> &amp; <b style='mso-bidi-font-weight:normal'><span
    2830 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    2831 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>U.</span></b>
    2832 This will add these parameters as allowed by symmetry to the refinement. Now go
    2833 to the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    2834 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    2835 minor-latin'>Atoms</span></b> tab for <b style='mso-bidi-font-weight:normal'><span
    2836 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    2837 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>La <span
    2838 class=SpellE>Mn</span> O3 mag</span></b> and double click the refine tab.
    2839 Select <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    2840 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    2841 minor-latin'>U</span></b> &amp; <b style='mso-bidi-font-weight:normal'><span
    2842 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    2843 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b>;
    2844 the <span class=SpellE>Uiso</span> for the <span class=SpellE>Mn</span> atom is
    2845 tied via a constraint to the <span class=SpellE>Mn</span> in the other phase.
    2846 Now select <b style='mso-bidi-font-weight:normal'><span style='font-family:
    2847 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    2848 minor-latin;mso-bidi-theme-font:minor-latin'>Background</span></b> from the <b
    2849 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2790minor-latin'>La <span class=SpellE>Mn</span> O3</span></b> phase, double click
     2791the refine column heading and select <b style='mso-bidi-font-weight:normal'><span
     2792style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     2793mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>X</span></b>
     2794&amp; <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2795mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     2796minor-latin'>U.</span></b> This will add these parameters as allowed by
     2797symmetry to the refinement. Now go to the <b style='mso-bidi-font-weight:normal'><span
     2798style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     2799mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
     2800tab for <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2801mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     2802minor-latin'>La <span class=SpellE>Mn</span> O3 mag</span></b> and double click
     2803the refine tab. Select <b style='mso-bidi-font-weight:normal'><span
     2804style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     2805mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>U</span></b>
     2806&amp; <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2807mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     2808minor-latin'>M</span></b>; the <span class=SpellE>Uiso</span> for the <span
     2809class=SpellE>Mn</span> atom is tied via a constraint to the <span class=SpellE>Mn</span>
     2810in the other phase. Now select <b style='mso-bidi-font-weight:normal'><span
     2811style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     2812mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Background</span></b>
     2813from the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    28502814mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    28512815minor-latin'>PWDR</span></b> entry and increase the number of terms to <b
     
    28672831 <v:imagedata src="SimpleMagnetic_files/image121.png" o:title=""/>
    28682832</v:shape><![endif]--><![if !vml]><img border=0 width=615 height=527
    2869 src="SimpleMagnetic_files/image131.png" v:shapes="Picture_x0020_41"><![endif]></span></p>
    2870 
    2871 <p class=MsoNormal>This curve shows a couple of peaks which are from some
    2872 contaminating phase, but otherwise the fluctuations are mostly within 2<span
     2833src="SimpleMagnetic_files/image070.png" v:shapes="Picture_x0020_41"><![endif]></span></p>
     2834
     2835<p class=MsoNormal>This curve shows a couple of peaks which are from some contaminating
     2836phase, but otherwise the fluctuations are mostly within 2<span
    28732837style='font-family:Symbol'>s</span> of zero. Finally examine the magnetic
    28742838moment components of the <span class=SpellE>Mn</span> atom; <span class=SpellE><b
     
    29012865 <v:imagedata src="SimpleMagnetic_files/image111.png" o:title=""/>
    29022866</v:shape><![endif]--><![if !vml]><img border=0 width=615 height=129
    2903 src="SimpleMagnetic_files/image132.png" v:shapes="Picture_x0020_42"><![endif]></span></p>
     2867src="SimpleMagnetic_files/image073.png" v:shapes="Picture_x0020_42"><![endif]></span></p>
    29042868
    29052869<p class=MsoNormal><o:p>&nbsp;</o:p></p>
     
    29192883 <v:imagedata src="SimpleMagnetic_files/image119.png" o:title=""/>
    29202884</v:shape><![endif]--><![if !vml]><img border=0 width=616 height=247
    2921 src="SimpleMagnetic_files/image133.png" v:shapes="Picture_x0020_44"><![endif]></span></p>
     2885src="SimpleMagnetic_files/image074.png" v:shapes="Picture_x0020_44"><![endif]></span></p>
    29222886
    29232887<p class=MsoNormal>The plot will show the unit cell contents of <span
     
    29322896 <v:imagedata src="SimpleMagnetic_files/image126.png" o:title=""/>
    29332897</v:shape><![endif]--><![if !vml]><img border=0 width=610 height=513
    2934 src="SimpleMagnetic_files/image135.png" v:shapes="Picture_x0020_45"><![endif]></span></p>
     2898src="SimpleMagnetic_files/image075.png" v:shapes="Picture_x0020_45"><![endif]></span></p>
    29352899
    29362900<p class=MsoNormal>This completes this tutorial; you can save the project if
     
    30423006 <v:imagedata src="SimpleMagnetic_files/image067.png" o:title=""/>
    30433007</v:shape><![endif]--><![if !vml]><img border=0 width=261 height=276
    3044 src="SimpleMagnetic_files/image137.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
     3008src="SimpleMagnetic_files/image076.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
    30453009
    30463010<p class=MsoNormal style='margin-left:.25in'><span class=GramE>and</span> the
     
    30523016 <v:imagedata src="SimpleMagnetic_files/image069.png" o:title=""/>
    30533017</v:shape><![endif]--><![if !vml]><img border=0 width=596 height=543
    3054 src="SimpleMagnetic_files/image139.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
     3018src="SimpleMagnetic_files/image077.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
    30553019
    30563020<h3>Step 2: Select Limits </h3>
     
    30873051 <v:imagedata src="SimpleMagnetic_files/image071.png" o:title=""/>
    30883052</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=568
    3089 src="SimpleMagnetic_files/image161.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
     3053src="SimpleMagnetic_files/image079.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
    30903054
    30913055<h3><a name="sucrose_peak_fit"></a>Step 3: Read in the chemical structure for
     
    31563120 <v:imagedata src="SimpleMagnetic_files/image134.png" o:title=""/>
    31573121</v:shape><![endif]--><![if !vml]><img border=0 width=280 height=224
    3158 src="SimpleMagnetic_files/image162.png" v:shapes="Picture_x0020_46"><![endif]></span></p>
     3122src="SimpleMagnetic_files/image094.png" v:shapes="Picture_x0020_46"><![endif]></span></p>
    31593123
    31603124<p class=MsoNormal style='margin-left:.25in'>Select the histogram (or press <b
     
    31703134 <v:imagedata src="SimpleMagnetic_files/image136.png" o:title=""/>
    31713135</v:shape><![endif]--><![if !vml]><img border=0 width=598 height=304
    3172 src="SimpleMagnetic_files/image163.png" v:shapes="Picture_x0020_47"><![endif]></span></p>
     3136src="SimpleMagnetic_files/image096.png" v:shapes="Picture_x0020_47"><![endif]></span></p>
    31733137
    31743138<p class=MsoNormal style='margin-left:.25in'>Notice that the space group from
     
    31943158 <v:imagedata src="SimpleMagnetic_files/image138.png" o:title=""/>
    31953159</v:shape><![endif]--><![if !vml]><img border=0 width=622 height=221
    3196 src="SimpleMagnetic_files/image164.png" v:shapes="Picture_x0020_48"><![endif]></span></p>
     3160src="SimpleMagnetic_files/image112.png" v:shapes="Picture_x0020_48"><![endif]></span></p>
    31973161
    31983162<p class=MsoListParagraphCxSpFirst style='margin-left:0in;mso-add-space:auto'>This
     
    32193183 <v:imagedata src="SimpleMagnetic_files/image143.png" o:title=""/>
    32203184</v:shape><![endif]--><![if !vml]><img border=0 width=622 height=221
    3221 src="SimpleMagnetic_files/image165.png" v:shapes="Picture_x0020_49"><![endif]></span><br
     3185src="SimpleMagnetic_files/image120.png" v:shapes="Picture_x0020_49"><![endif]></span><br
    32223186style='mso-special-character:line-break'>
    32233187<![if !supportLineBreakNewLine]><br style='mso-special-character:line-break'>
     
    32383202to see details of the indexing<span style='mso-no-proof:yes'> <!--[if gte vml 1]><v:shape
    32393203 id="Picture_x0020_50" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:465.75pt;
    3240  height:327pt;visibility:visible;mso-wrap-style:square'>
     3204 height:327.75pt;visibility:visible;mso-wrap-style:square'>
    32413205 <v:imagedata src="SimpleMagnetic_files/image145.png" o:title=""/>
    3242 </v:shape><![endif]--><![if !vml]><img border=0 width=621 height=436
    3243 src="SimpleMagnetic_files/image166.png" v:shapes="Picture_x0020_50"><![endif]></span></p>
     3206</v:shape><![endif]--><![if !vml]><img border=0 width=621 height=437
     3207src="SimpleMagnetic_files/image127.png" v:shapes="Picture_x0020_50"><![endif]></span></p>
    32443208
    32453209<p class=MsoListParagraphCxSpLast style='margin-left:0in;mso-add-space:auto'>Note
     
    32533217<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    32543218 id="Picture_x0020_51" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:468.75pt;
    3255  height:329.25pt;visibility:visible;mso-wrap-style:square'>
     3219 height:330pt;visibility:visible;mso-wrap-style:square'>
    32563220 <v:imagedata src="SimpleMagnetic_files/image147.png" o:title=""/>
    3257 </v:shape><![endif]--><![if !vml]><img border=0 width=625 height=439
    3258 src="SimpleMagnetic_files/image167.png" v:shapes="Picture_x0020_51"><![endif]></span><br>
     3221</v:shape><![endif]--><![if !vml]><img border=0 width=625 height=440
     3222src="SimpleMagnetic_files/image128.png" v:shapes="Picture_x0020_51"><![endif]></span><br>
    32593223Then check the box <b style='mso-bidi-font-weight:normal'><span
    32603224style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     
    32693233 <v:imagedata src="SimpleMagnetic_files/image149.png" o:title=""/>
    32703234</v:shape><![endif]--><![if !vml]><img border=0 width=623 height=199
    3271 src="SimpleMagnetic_files/image168.png" v:shapes="Picture_x0020_52"><![endif]></span></p>
     3235src="SimpleMagnetic_files/image129.png" v:shapes="Picture_x0020_52"><![endif]></span></p>
    32723236
    32733237<p class=MsoListParagraphCxSpLast style='margin-left:0in;mso-add-space:auto'>Because
     
    32883252
    32893253<p class=MsoNormal>In the previous step we did not have to resort to any
    3290 doubling of a cell axis to explain the suite of magnetic reflections, so the propagation
    3291 vector is zero (in case anyone asks!). To make the magnetic cell from the
    3292 chemical cell we will use the transform tool that is in GSAS-II in the General
    3293 tab for the chemical structure. That tab is</p>
     3254doubling of a cell axis to explain the suite of magnetic reflections, so the
     3255propagation vector is zero (in case anyone asks!). To make the magnetic cell
     3256from the chemical cell we will use the transform tool that is in GSAS-II in the
     3257General tab for the chemical structure. That tab is</p>
    32943258
    32953259<p class=MsoListParagraph style='margin-left:0in;mso-add-space:auto'><span
     
    32993263 <v:imagedata src="SimpleMagnetic_files/image151.png" o:title=""/>
    33003264</v:shape><![endif]--><![if !vml]><img border=0 width=623 height=275
    3301 src="SimpleMagnetic_files/image169.png" v:shapes="Picture_x0020_53"><![endif]></span></p>
     3265src="SimpleMagnetic_files/image130.png" v:shapes="Picture_x0020_53"><![endif]></span></p>
    33023266
    33033267<p class=MsoNormal>Under the <b style='mso-bidi-font-weight:normal'><span
     
    33333297src="SimpleMagnetic_files/image173.png" v:shapes="Picture_x0020_82"><![endif]></span></p>
    33343298
    3335 <p class=MsoNormal>This allows one to select possible magnetic lattice
    3336 centering operations as given by the BNS nomenclature. This can be needed if
    3337 one had discovered a requirement of doubling a cell axis in the previous step
    3338 (e.g. a nonzero propagation vector). This is not required in this case and we
    3339 are using the same nonstandard space group (<span class=SpellE>Pnma</span>) for
    3340 the magnetic cell that is used for the chemical cell. Leave the box at the
    3341 bottom about constraints checked as we want them to tie the two phases
    3342 together.<span style='mso-spacerun:yes'>  </span>Press <b style='mso-bidi-font-weight:
    3343 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    3344 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>
     3299<p class=MsoNormal>This allows one to select possible magnetic lattice centering
     3300operations as given by the BNS nomenclature. This can be needed if one had
     3301discovered a requirement of doubling a cell axis in the previous step (e.g. a
     3302nonzero propagation vector). This is not required in this case and we are using
     3303the same nonstandard space group (<span class=SpellE>Pnma</span>) for the
     3304magnetic cell that is used for the chemical cell. Leave the box at the bottom
     3305about constraints checked as we want them to tie the two phases together.<span
     3306style='mso-spacerun:yes'>  </span>Press <b style='mso-bidi-font-weight:normal'><span
     3307style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     3308mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>
    33453309to continue; a new popup will appear</p>
    33463310
     
    33513315 <v:imagedata src="SimpleMagnetic_files/image157.png" o:title=""/>
    33523316</v:shape><![endif]--><![if !vml]><img border=0 width=196 height=87
    3353 src="SimpleMagnetic_files/image177.png" v:shapes="Picture_x0020_56"><![endif]></span></p>
     3317src="SimpleMagnetic_files/image140.png" v:shapes="Picture_x0020_56"><![endif]></span></p>
    33543318
    33553319<p class=MsoNormal>This allows one to reject certain atoms that are known to
     
    33663330 <v:imagedata src="SimpleMagnetic_files/image159.png" o:title=""/>
    33673331</v:shape><![endif]--><![if !vml]><img border=0 width=619 height=365
    3368 src="SimpleMagnetic_files/image181.png" v:shapes="Picture_x0020_57"><![endif]></span></p>
     3332src="SimpleMagnetic_files/image141.png" v:shapes="Picture_x0020_57"><![endif]></span></p>
    33693333
    33703334<p class=MsoNormal>The phase is named with “mag” appended to the end, the phase
     
    33903354 <v:imagedata src="SimpleMagnetic_files/image170.png" o:title=""/>
    33913355</v:shape><![endif]--><![if !vml]><img border=0 width=625 height=143
    3392 src="SimpleMagnetic_files/image183.png" v:shapes="Picture_x0020_58"><![endif]></span></p>
     3356src="SimpleMagnetic_files/image142.png" v:shapes="Picture_x0020_58"><![endif]></span></p>
    33933357
    33943358<p class=MsoListParagraphCxSpMiddle style='margin-left:0in;mso-add-space:auto'>Notice
     
    34173381 <v:imagedata src="SimpleMagnetic_files/image172.png" o:title=""/>
    34183382</v:shape><![endif]--><![if !vml]><img border=0 width=320 height=266
    3419 src="SimpleMagnetic_files/image185.png" v:shapes="Picture_x0020_60"><![endif]></span></p>
     3383src="SimpleMagnetic_files/image144.png" v:shapes="Picture_x0020_60"><![endif]></span></p>
    34203384
    34213385<p class=MsoListParagraphCxSpMiddle style='margin-left:0in;mso-add-space:auto'>The
     
    34323396 <v:imagedata src="SimpleMagnetic_files/image174.png" o:title=""/>
    34333397</v:shape><![endif]--><![if !vml]><img border=0 width=634 height=133
    3434 src="SimpleMagnetic_files/image187.png" v:shapes="Picture_x0020_61"><![endif]></span></p>
     3398src="SimpleMagnetic_files/image146.png" v:shapes="Picture_x0020_61"><![endif]></span></p>
    34353399
    34363400<p class=MsoListParagraphCxSpLast style='margin-left:0in;mso-add-space:auto'>If
     
    34883452 <v:imagedata src="SimpleMagnetic_files/image176.png" o:title=""/>
    34893453</v:shape><![endif]--><![if !vml]><img border=0 width=692 height=486
    3490 src="SimpleMagnetic_files/image189.png" v:shapes="Picture_x0020_64"><![endif]></span></p>
     3454src="SimpleMagnetic_files/image148.png" v:shapes="Picture_x0020_64"><![endif]></span></p>
    34913455
    34923456<p class=MsoListParagraphCxSpLast style='margin-left:0in;mso-add-space:auto'>Clearly
     
    35593523 <v:imagedata src="SimpleMagnetic_files/image178.png" o:title=""/>
    35603524</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=119
    3561 src="SimpleMagnetic_files/image191.png" v:shapes="Picture_x0020_63"><![endif]></span></p>
     3525src="SimpleMagnetic_files/image150.png" v:shapes="Picture_x0020_63"><![endif]></span></p>
    35623526
    35633527<p class=MsoNormal>Then do <b style='mso-bidi-font-weight:normal'><span
     
    35693533<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    35703534 id="Picture_x0020_65" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:468.75pt;
    3571  height:329.25pt;visibility:visible;mso-wrap-style:square'>
     3535 height:330pt;visibility:visible;mso-wrap-style:square'>
    35723536 <v:imagedata src="SimpleMagnetic_files/image180.png" o:title=""/>
    3573 </v:shape><![endif]--><![if !vml]><img border=0 width=625 height=439
    3574 src="SimpleMagnetic_files/image193.png" v:shapes="Picture_x0020_65"><![endif]></span></p>
     3537</v:shape><![endif]--><![if !vml]><img border=0 width=625 height=440
     3538src="SimpleMagnetic_files/image152.png" v:shapes="Picture_x0020_65"><![endif]></span></p>
    35753539
    35763540<p class=MsoNormal><span class=GramE>and</span> the magnetic moment components
     
    35783542
    35793543<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3580  id="Picture_x0020_66" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:471pt;
     3544 id="Picture_x0020_66" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:471.75pt;
    35813545 height:92.25pt;visibility:visible;mso-wrap-style:square'>
    35823546 <v:imagedata src="SimpleMagnetic_files/image182.png" o:title=""/>
    3583 </v:shape><![endif]--><![if !vml]><img border=0 width=628 height=123
    3584 src="SimpleMagnetic_files/image200.png" v:shapes="Picture_x0020_66"><![endif]></span></p>
     3547</v:shape><![endif]--><![if !vml]><img border=0 width=629 height=123
     3548src="SimpleMagnetic_files/image153.png" v:shapes="Picture_x0020_66"><![endif]></span></p>
    35853549
    35863550<p class=MsoNormal>So we test the next possibility.</p>
     
    36313595
    36323596<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3633  id="Picture_x0020_67" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:472.5pt;
     3597 id="Picture_x0020_67" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:471.75pt;
    36343598 height:331.5pt;visibility:visible;mso-wrap-style:square'>
    36353599 <v:imagedata src="SimpleMagnetic_files/image184.png" o:title=""/>
    3636 </v:shape><![endif]--><![if !vml]><img border=0 width=630 height=442
    3637 src="SimpleMagnetic_files/image201.png" v:shapes="Picture_x0020_67"><![endif]></span></p>
     3600</v:shape><![endif]--><![if !vml]><img border=0 width=629 height=442
     3601src="SimpleMagnetic_files/image154.png" v:shapes="Picture_x0020_67"><![endif]></span></p>
    36383602
    36393603<p class=MsoNormal>The <b style='mso-bidi-font-weight:normal'><span
     
    36493613 <v:imagedata src="SimpleMagnetic_files/image186.png" o:title=""/>
    36503614</v:shape><![endif]--><![if !vml]><img border=0 width=630 height=118
    3651 src="SimpleMagnetic_files/image202.png" v:shapes="Picture_x0020_68"><![endif]></span></p>
     3615src="SimpleMagnetic_files/image155.png" v:shapes="Picture_x0020_68"><![endif]></span></p>
    36523616
    36533617<p class=MsoNormal>Let’s test the next one.</p>
     
    37003664 <v:imagedata src="SimpleMagnetic_files/image188.png" o:title=""/>
    37013665</v:shape><![endif]--><![if !vml]><img border=0 width=629 height=441
    3702 src="SimpleMagnetic_files/image203.png" v:shapes="Picture_x0020_69"><![endif]></span></p>
     3666src="SimpleMagnetic_files/image156.png" v:shapes="Picture_x0020_69"><![endif]></span></p>
    37033667
    37043668<p class=MsoNormal>The <b style='mso-bidi-font-weight:normal'><span
     
    37133677 <v:imagedata src="SimpleMagnetic_files/image190.png" o:title=""/>
    37143678</v:shape><![endif]--><![if !vml]><img border=0 width=630 height=126
    3715 src="SimpleMagnetic_files/image204.png" v:shapes="Picture_x0020_70"><![endif]></span></p>
     3679src="SimpleMagnetic_files/image158.png" v:shapes="Picture_x0020_70"><![endif]></span></p>
    37163680
    37173681<p class=MsoNormal>We should now check the last spin configuration.</p>
     
    37623726 <v:imagedata src="SimpleMagnetic_files/image192.png" o:title=""/>
    37633727</v:shape><![endif]--><![if !vml]><img border=0 width=633 height=444
    3764 src="SimpleMagnetic_files/image205.png" v:shapes="Picture_x0020_71"><![endif]></span></p>
     3728src="SimpleMagnetic_files/image160.png" v:shapes="Picture_x0020_71"><![endif]></span></p>
    37653729
    37663730<p class=MsoNormal><span class=GramE>and</span> with the strong <span
     
    37733737 <v:imagedata src="SimpleMagnetic_files/image206.png" o:title=""/>
    37743738</v:shape><![endif]--><![if !vml]><img border=0 width=636 height=108
    3775 src="SimpleMagnetic_files/image207.png" v:shapes="Picture_x0020_72"><![endif]></span></p>
     3739src="SimpleMagnetic_files/image175.png" v:shapes="Picture_x0020_72"><![endif]></span></p>
    37763740
    37773741<p class=MsoNormal><o:p>&nbsp;</o:p></p>
     
    38333797<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    38343798 id="Picture_x0020_73" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:237.75pt;
    3835  height:510.75pt;visibility:visible;mso-wrap-style:square'>
     3799 height:511.5pt;visibility:visible;mso-wrap-style:square'>
    38363800 <v:imagedata src="SimpleMagnetic_files/image209.png" o:title=""/>
    3837 </v:shape><![endif]--><![if !vml]><img border=0 width=317 height=681
    3838 src="SimpleMagnetic_files/image208.png" v:shapes="Picture_x0020_73"><![endif]><!--[if gte vml 1]><v:shape
     3801</v:shape><![endif]--><![if !vml]><img border=0 width=317 height=682
     3802src="SimpleMagnetic_files/image179.png" v:shapes="Picture_x0020_73"><![endif]><!--[if gte vml 1]><v:shape
    38393803 id="Picture_x0020_74" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:239.25pt;
    38403804 height:510pt;visibility:visible;mso-wrap-style:square'>
    38413805 <v:imagedata src="SimpleMagnetic_files/image211.png" o:title=""/>
    38423806</v:shape><![endif]--><![if !vml]><img border=0 width=319 height=680
    3843 src="SimpleMagnetic_files/image210.png" v:shapes="Picture_x0020_74"><![endif]></span></p>
     3807src="SimpleMagnetic_files/image194.png" v:shapes="Picture_x0020_74"><![endif]></span></p>
    38443808
    38453809<p class=MsoNormal>The magnetic peaks contributing to this peak are the 200,221
     
    38573821 <v:imagedata src="SimpleMagnetic_files/image213.png" o:title=""/>
    38583822</v:shape><![endif]--><![if !vml]><img border=0 width=632 height=669
    3859 src="SimpleMagnetic_files/image212.png" v:shapes="Picture_x0020_75"><![endif]></span></p>
     3823src="SimpleMagnetic_files/image195.png" v:shapes="Picture_x0020_75"><![endif]></span></p>
    38603824
    38613825<p class=MsoNormal><span class=GramE>which</span> shows that the ferromagnetic
  • Tutorials/SimpleMagnetic/SimpleMagnetic_files/filelist.xml

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