Ignore:
Timestamp:
Jul 18, 2018 2:40:55 PM (5 years ago)
Author:
vondreele
Message:

fix

Location:
Tutorials/SimpleMagnetic
Files:
2 edited

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  • Tutorials/SimpleMagnetic/SimpleMagnetic.htm

    r3479 r3480  
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    2423  <o:Author>Von Dreele</o:Author>
    2524  <o:LastAuthor>vondreele</o:LastAuthor>
    26   <o:Revision>16</o:Revision>
    27   <o:TotalTime>6197</o:TotalTime>
     25  <o:Revision>17</o:Revision>
     26  <o:TotalTime>6201</o:TotalTime>
    2827  <o:Created>2017-08-09T17:16:00Z</o:Created>
    29   <o:LastSaved>2018-07-18T18:04:00Z</o:LastSaved>
     28  <o:LastSaved>2018-07-18T19:38:00Z</o:LastSaved>
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     30  <o:Words>5837</o:Words>
     31  <o:Characters>33274</o:Characters>
    3332  <o:Company>Argonne National Laboratory</o:Company>
    3433  <o:Lines>277</o:Lines>
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    … …  
    16911690<p class=MsoNormal><o:p>&nbsp;</o:p></p>
    16921691
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    … …  
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    1722 
    1723 <p class=MsoNormal>To have this result, one assumes that the neutron beam is not
    1724 polarized, the sample has no texture and there is only elastic scattering. The
    1725 first term is the ordinary nuclear structure factor found for all crystalline
    1726 materials and the second is the magnetic scattering. Note that the result is a
    1727 sum of squares implying that the nuclear and magnetic scattering intensities
    1728 are summed to give the total that is measured in a magnetic powder diffraction
    1729 experiment. This allows us to model the structure as two separate crystalline
    1730 phases; one consists of the chemical arrangement of all the atoms in the
    1731 crystal structure described with a conventional unit cell and space group, and
    1732 the other contains only the magnetic atoms in a perhaps different unit cell
    1733 with a magnetic space group to describe the atom and magnetic moment
     1716src="SimpleMagnetic_files/image001.png" v:shapes="Picture_x0020_1"><![endif]></span></p>
     1717
     1718<p class=MsoNormal>To have this result, one assumes that the neutron beam is
     1719not polarized, the sample has no texture and there is only elastic scattering.
     1720The first term is the ordinary nuclear structure factor found for all
     1721crystalline materials and the second is the magnetic scattering. Note that the
     1722result is a sum of squares implying that the nuclear and magnetic scattering
     1723intensities are summed to give the total that is measured in a magnetic powder
     1724diffraction experiment. This allows us to model the structure as two separate
     1725crystalline phases; one consists of the chemical arrangement of all the atoms
     1726in the crystal structure described with a conventional unit cell and space
     1727group, and the other contains only the magnetic atoms in a perhaps different
     1728unit cell with a magnetic space group to describe the atom and magnetic moment
    17341729arrangement. Needless to say both phases must describe the same atomic
    17351730arrangement for the magnetic ions; these will be linked as needed by
    … …  
    17401735<p class=MsoNormal><o:p>&nbsp;</o:p></p>
    17411736
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     1742src="SimpleMagnetic_files/image002.png" v:shapes="Picture_x0020_2"><![endif]></span></p>
    17511743
    17521744<p class=MsoNormal>The second term (<i style='mso-bidi-font-style:normal'>p<sub>m</sub></i>)
    … …  
    18741866
    18751867<h2><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_3"
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    18781870 <v:imagedata src="SimpleMagnetic_files/image005.png" o:title=""/>
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    1880 src="SimpleMagnetic_files/image081.png" v:shapes="Picture_x0020_3"><![endif]></span></h2>
     1872src="SimpleMagnetic_files/image003.png" v:shapes="Picture_x0020_3"><![endif]></span></h2>
    18811873
    18821874<p class=MsoNormal><span class=GramE>and</span> the plot window will show the
    … …  
    18841876
    18851877<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
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    18881880 <v:imagedata src="SimpleMagnetic_files/image007.png" o:title=""/>
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    1890 src="SimpleMagnetic_files/image082.png" v:shapes="Picture_x0020_4"><![endif]></span></p>
     1882src="SimpleMagnetic_files/image004.png" v:shapes="Picture_x0020_4"><![endif]></span></p>
    18911883
    18921884<h3>Step 2: Select Limits </h3>
    … …  
    19251917
    19261918<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1927  id="Picture_x0020_5" o:spid="_x0000_i1097" type="#_x0000_t75" style='width:468pt;
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    19291921 <v:imagedata src="SimpleMagnetic_files/image009.png" o:title=""/>
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    1931 src="SimpleMagnetic_files/image083.png" v:shapes="Picture_x0020_5"><![endif]></span></p>
     1923src="SimpleMagnetic_files/image006.png" v:shapes="Picture_x0020_5"><![endif]></span></p>
    19321924
    19331925<h3>Step 3: Read in the chemical structure for LaMnO<sub>3</sub></h3>
    … …  
    19981990<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
    19991991auto'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_6"
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    20021994 <v:imagedata src="SimpleMagnetic_files/image011.png" o:title=""/>
    … …  
    20122004minor-latin'>OK</span></b>. The General tab for the phase is shown next<br>
    20132005<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_7"
    2014  o:spid="_x0000_i1095" type="#_x0000_t75" style='width:404.25pt;height:208.5pt;
     2006 o:spid="_x0000_i1093" type="#_x0000_t75" style='width:404.25pt;height:208.5pt;
    20152007 visibility:visible;mso-wrap-style:square'>
    20162008 <v:imagedata src="SimpleMagnetic_files/image012.png" o:title=""/>
    20172009</v:shape><![endif]--><![if !vml]><img border=0 width=539 height=278
    2018 src="SimpleMagnetic_files/image084.png" v:shapes="Picture_x0020_7"><![endif]></span></p>
     2010src="SimpleMagnetic_files/image008.png" v:shapes="Picture_x0020_7"><![endif]></span></p>
    20192011
    20202012<h3>Step 4. Check powder pattern indexing</h3>
    … …  
    20332025histogram (begins with PWDR); the Indexing controls will be shown<br>
    20342026<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_8"
    2035  o:spid="_x0000_i1094" type="#_x0000_t75" style='width:407.25pt;height:146.25pt;
     2027 o:spid="_x0000_i1092" type="#_x0000_t75" style='width:407.25pt;height:146.25pt;
    20362028 visibility:visible;mso-wrap-style:square'>
    20372029 <v:imagedata src="SimpleMagnetic_files/image014.png" o:title=""/>
    20382030</v:shape><![endif]--><![if !vml]><img border=0 width=543 height=195
    2039 src="SimpleMagnetic_files/image085.png" v:shapes="Picture_x0020_8"><![endif]></span></p>
     2031src="SimpleMagnetic_files/image010.png" v:shapes="Picture_x0020_8"><![endif]></span></p>
    20402032
    20412033<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
    … …  
    20672059and the Indexing controls will be change<br>
    20682060<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_9"
    2069  o:spid="_x0000_i1093" type="#_x0000_t75" style='width:411pt;height:147.75pt;
     2061 o:spid="_x0000_i1091" type="#_x0000_t75" style='width:411pt;height:147.75pt;
    20702062 visibility:visible;mso-wrap-style:square'>
    20712063 <v:imagedata src="SimpleMagnetic_files/image016.png" o:title=""/>
    20722064</v:shape><![endif]--><![if !vml]><img border=0 width=548 height=197
    2073 src="SimpleMagnetic_files/image086.png" v:shapes="Picture_x0020_9"><![endif]></span><br>
     2065src="SimpleMagnetic_files/image013.png" v:shapes="Picture_x0020_9"><![endif]></span><br>
    20742066showing the lattice constants for LaMnO3 you had obtained from the <span
    20752067class=SpellE>cif</span> file. Note that the space group is set to that of the <span
    … …  
    20872079calculated reflection line positions.<br>
    20882080<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_10"
    2089  o:spid="_x0000_i1092" type="#_x0000_t75" style='width:414pt;height:354.75pt;
     2081 o:spid="_x0000_i1090" type="#_x0000_t75" style='width:414pt;height:354.75pt;
    20902082 visibility:visible;mso-wrap-style:square'>
    20912083 <v:imagedata src="SimpleMagnetic_files/image018.png" o:title=""/>
    20922084</v:shape><![endif]--><![if !vml]><img border=0 width=552 height=473
    2093 src="SimpleMagnetic_files/image087.png" v:shapes="Picture_x0020_10"><![endif]></span></p>
     2085src="SimpleMagnetic_files/image015.png" v:shapes="Picture_x0020_10"><![endif]></span></p>
    20942086
    20952087<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
    20962088auto'>This is the reflection set for the <span class=SpellE>Bravais</span>
    20972089lattice <span class=SpellE>Pmmm</span> which includes <span class=SpellE>relections</span>
    2098 that may be space group extinct and/or magnetically extinct. BN: a reflection that
    2099 is space group extinct could still be allowed for magnetic scattering.</p>
     2090that may be space group extinct and/or magnetically extinct. BN: a reflection
     2091that is space group extinct could still be allowed for magnetic scattering.</p>
    21002092
    21012093<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
    … …  
    21052097in on the lowest part of the pattern to see details of the indexing<br>
    21062098<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_11"
    2107  o:spid="_x0000_i1091" type="#_x0000_t75" style='width:411pt;height:352.5pt;
     2099 o:spid="_x0000_i1089" type="#_x0000_t75" style='width:411pt;height:352.5pt;
    21082100 visibility:visible;mso-wrap-style:square'>
    21092101 <v:imagedata src="SimpleMagnetic_files/image020.png" o:title=""/>
    21102102</v:shape><![endif]--><![if !vml]><img border=0 width=548 height=470
    2111 src="SimpleMagnetic_files/image088.png" v:shapes="Picture_x0020_11"><![endif]></span></p>
     2103src="SimpleMagnetic_files/image017.png" v:shapes="Picture_x0020_11"><![endif]></span></p>
    21122104
    21132105<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
    … …  
    21252117(near the bottom of the pull down); the indexing will immediately change<br>
    21262118<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_12"
    2127  o:spid="_x0000_i1090" type="#_x0000_t75" style='width:408pt;height:349.5pt;
     2119 o:spid="_x0000_i1088" type="#_x0000_t75" style='width:408pt;height:349.5pt;
    21282120 visibility:visible;mso-wrap-style:square'>
    21292121 <v:imagedata src="SimpleMagnetic_files/image022.png" o:title=""/>
    21302122</v:shape><![endif]--><![if !vml]><img border=0 width=544 height=466
    2131 src="SimpleMagnetic_files/image089.png" v:shapes="Picture_x0020_12"><![endif]></span><br>
     2123src="SimpleMagnetic_files/image019.png" v:shapes="Picture_x0020_12"><![endif]></span><br>
    21322124Notice that the 1<sup>st</sup> peak (as well as the contaminant) is no longer
    21332125indexed; this is likely to be a magnetic only peak as expected from an
    … …  
    21582150<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
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    21612153 visibility:visible;mso-wrap-style:square'>
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    21632155</v:shape><![endif]--><![if !vml]><img border=0 width=540 height=195
    2164 src="SimpleMagnetic_files/image090.png" v:shapes="Picture_x0020_13"><![endif]></span></p>
     2156src="SimpleMagnetic_files/image021.png" v:shapes="Picture_x0020_13"><![endif]></span></p>
    21652157
    21662158<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
    … …  
    22022194<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
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    22062198 <v:imagedata src="SimpleMagnetic_files/image026.png" o:title=""/>
    22072199</v:shape><![endif]--><![if !vml]><img border=0 width=256 height=214
    2208 src="SimpleMagnetic_files/image091.png" v:shapes="Picture_x0020_14"><![endif]></span></p>
     2200src="SimpleMagnetic_files/image023.png" v:shapes="Picture_x0020_14"><![endif]></span></p>
    22092201
    22102202<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
    … …  
    22142206<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
    22152207auto'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_15"
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    22172209 visibility:visible;mso-wrap-style:square'>
    22182210 <v:imagedata src="SimpleMagnetic_files/image028.png" o:title=""/>
    22192211</v:shape><![endif]--><![if !vml]><img border=0 width=256 height=214
    2220 src="SimpleMagnetic_files/image092.png" v:shapes="Picture_x0020_15"><![endif]></span></p>
     2212src="SimpleMagnetic_files/image025.png" v:shapes="Picture_x0020_15"><![endif]></span></p>
    22212213
    22222214<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto'>It
    2223 is worthwhile noticing that the inversion operator (-1) is red in the latter but
    2224 not in the former since an atom at an inversion center cannot have a magnetic
    2225 moment if there is also spin inversion. More about this later. Press <b
     2215is worthwhile noticing that the inversion operator (-1) is red in the latter
     2216but not in the former since an atom at an inversion center cannot have a
     2217magnetic moment if there is also spin inversion. More about this later. Press <b
    22262218style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    22272219mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    … …  
    22402232
    22412233<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
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    22442236 <v:imagedata src="SimpleMagnetic_files/image030.png" o:title=""/>
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    2246 src="SimpleMagnetic_files/image093.png" v:shapes="Picture_x0020_16"><![endif]></span></p>
     2238src="SimpleMagnetic_files/image027.png" v:shapes="Picture_x0020_16"><![endif]></span></p>
    22472239
    22482240<p class=MsoNormal>Under the <b style='mso-bidi-font-weight:normal'><span
    … …  
    22552247
    22562248<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
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    2259  <v:imagedata src="SimpleMagnetic_files/image094.png" o:title=""/>
    2260 </v:shape><![endif]--><![if !vml]><img border=0 width=288 height=331
    2261 src="SimpleMagnetic_files/image095.png" v:shapes="Picture_x0020_76"><![endif]></span></p>
     2249 id="Picture_x0020_76" o:spid="_x0000_i1083" type="#_x0000_t75" style='width:274.5pt;
     2250 height:327pt;visibility:visible;mso-wrap-style:square'>
     2251 <v:imagedata src="SimpleMagnetic_files/image029.png" o:title=""/>
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     2253src="SimpleMagnetic_files/image029.png" v:shapes="Picture_x0020_76"><![endif]></span></p>
    22622254
    22632255<p class=MsoNormal>The order of operations for the transformation is given at
    22642256the top of the window; the U vector permits applying an origin shift to the
    2265 atom coordinates before the transformation and the V vector is for an origin shift
    2266 after the transformation. The lattice parameters are transformed by changing
    2267 the metric tensor via</p>
     2257atom coordinates before the transformation and the V vector is for an origin
     2258shift after the transformation. The lattice parameters are transformed by
     2259changing the metric tensor via</p>
    22682260
    22692261<p class=MsoNormal><o:p>&nbsp;</o:p></p>
    … …  
    22932285<p class=MsoNormal>The dialog box gives an extensive list of commonly used
    22942286transformations for e.g. swapping axes. In this case we are not transforming
    2295 the unit cell so the matrix is just the unit matrix (ones on diagonal) and we are
    2296 not shifting the origin so U &amp; V are zeros. We do want the new phase to be
    2297 magnetic so press the <b style='mso-bidi-font-weight:normal'><span
     2287the unit cell so the matrix is just the unit matrix (ones on diagonal) and we
     2288are not shifting the origin so U &amp; V are zeros. We do want the new phase to
     2289be magnetic so press the <b style='mso-bidi-font-weight:normal'><span
    22982290style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    22992291mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Make new
    … …  
    23012293
    23022294<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2303  id="Picture_x0020_77" o:spid="_x0000_i1084" type="#_x0000_t75" style='width:215.25pt;
    2304  height:263.25pt;visibility:visible;mso-wrap-style:square'>
    2305  <v:imagedata src="SimpleMagnetic_files/image096.png" o:title=""/>
    2306 </v:shape><![endif]--><![if !vml]><img border=0 width=287 height=351
    2307 src="SimpleMagnetic_files/image097.png" v:shapes="Picture_x0020_77"><![endif]></span></p>
     2295 id="Picture_x0020_77" o:spid="_x0000_i1082" type="#_x0000_t75" style='width:274.5pt;
     2296 height:324.75pt;visibility:visible;mso-wrap-style:square'>
     2297 <v:imagedata src="SimpleMagnetic_files/image031.png" o:title=""/>
     2298</v:shape><![endif]--><![if !vml]><img border=0 width=366 height=433
     2299src="SimpleMagnetic_files/image031.png" v:shapes="Picture_x0020_77"><![endif]></span></p>
    23082300
    23092301<p class=MsoNormal>This allows one to select possible magnetic lattice
    23102302centering operations as given by the BNS nomenclature. This can be needed if
    23112303one had discovered a requirement of doubling a cell axis in the previous step
    2312 (e.g. a nonzero propagation vector). This is not required in this case and we
    2313 are using the space group (<span class=SpellE>Pnma</span>) for the magnetic
    2314 cell. Leave the box at the bottom about constraints checked as we want them to
    2315 tie the two phases together.<span style='mso-spacerun:yes'>  </span>Press <b
     2304(e.g. a nonzero propagation vector). This is not required in this case and we are
     2305using the space group (<span class=SpellE>Pnma</span>) for the magnetic cell.
     2306Leave the box at the bottom about constraints checked as we want them to tie
     2307the two phases together.<span style='mso-spacerun:yes'>  </span>Press <b
    23162308style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    23172309mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    … …  
    23192311
    23202312<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2321  id="_x0000_i1083" type="#_x0000_t75" style='width:181.5pt;height:80.25pt;
     2313 id="_x0000_i1081" type="#_x0000_t75" style='width:181.5pt;height:80.25pt;
    23222314 visibility:visible;mso-wrap-style:square'>
    23232315 <v:imagedata src="SimpleMagnetic_files/image034.png" o:title=""/>
    23242316</v:shape><![endif]--><![if !vml]><img border=0 width=242 height=107
    2325 src="SimpleMagnetic_files/image034.png" v:shapes="_x0000_i1083"><![endif]></span></p>
     2317src="SimpleMagnetic_files/image034.png" v:shapes="_x0000_i1081"><![endif]></span></p>
    23262318
    23272319<p class=MsoNormal>This allows one to reject certain atoms that are known to
    … …  
    23332325
    23342326<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2335  id="Picture_x0020_24" o:spid="_x0000_i1082" type="#_x0000_t75" style='width:468pt;
    2336  height:270pt;visibility:visible;mso-wrap-style:square'>
     2327 id="_x0000_i1080" type="#_x0000_t75" style='width:468pt;height:270pt;
     2328 visibility:visible;mso-wrap-style:square'>
    23372329 <v:imagedata src="SimpleMagnetic_files/image035.png" o:title=""/>
    23382330</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=360
    2339 src="SimpleMagnetic_files/image098.png" v:shapes="Picture_x0020_24"><![endif]></span></p>
     2331src="SimpleMagnetic_files/image032.png" v:shapes="_x0000_i1080"><![endif]></span></p>
    23402332
    23412333<p class=MsoNormal>The phase is named with “mag” appended to the end, the phase
    … …  
    23492341
    23502342<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2351  id="Picture_x0020_31" o:spid="_x0000_i1081" type="#_x0000_t75" style='width:387.75pt;
    2352  height:264.75pt;visibility:visible;mso-wrap-style:square'>
     2343 id="_x0000_i1079" type="#_x0000_t75" style='width:387.75pt;height:264.75pt;
     2344 visibility:visible;mso-wrap-style:square'>
    23532345 <v:imagedata src="SimpleMagnetic_files/image037.png" o:title=""/>
    23542346</v:shape><![endif]--><![if !vml]><img border=0 width=517 height=353
    2355 src="SimpleMagnetic_files/image099.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
     2347src="SimpleMagnetic_files/image033.png" v:shapes="_x0000_i1079"><![endif]></span></p>
    23562348
    23572349<p class=MsoNormal>This shows all the possible required constraints between the
    … …  
    23682360
    23692361<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2370  id="Picture_x0020_32" o:spid="_x0000_i1080" type="#_x0000_t75" style='width:386.25pt;
     2362 id="Picture_x0020_32" o:spid="_x0000_i1078" type="#_x0000_t75" style='width:386.25pt;
    23712363 height:139.5pt;visibility:visible;mso-wrap-style:square'>
    23722364 <v:imagedata src="SimpleMagnetic_files/image039.png" o:title=""/>
    23732365</v:shape><![endif]--><![if !vml]><img border=0 width=515 height=186
    2374 src="SimpleMagnetic_files/image100.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
     2366src="SimpleMagnetic_files/image036.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
    23752367
    23762368<p class=MsoNormal>This gives the constraints between the two phases for scale
    … …  
    24002392
    24012393<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2402  id="Picture_x0020_23" o:spid="_x0000_i1079" type="#_x0000_t75" style='width:468pt;
     2394 id="Picture_x0020_23" o:spid="_x0000_i1077" type="#_x0000_t75" style='width:468pt;
    24032395 height:111.75pt;visibility:visible;mso-wrap-style:square'>
    24042396 <v:imagedata src="SimpleMagnetic_files/image041.png" o:title=""/>
    24052397</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=149
    2406 src="SimpleMagnetic_files/image101.png" v:shapes="Picture_x0020_23"><![endif]></span></p>
     2398src="SimpleMagnetic_files/image038.png" v:shapes="Picture_x0020_23"><![endif]></span></p>
    24072399
    24082400<p class=MsoNormal>The boxes that carry the magnetic moment components (<span
    … …  
    24352427
    24362428<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2437  id="_x0000_i1078" type="#_x0000_t75" style='width:468pt;height:231pt;
    2438  visibility:visible;mso-wrap-style:square'>
     2429 id="Picture_x0020_24" o:spid="_x0000_i1076" type="#_x0000_t75" style='width:468pt;
     2430 height:231pt;visibility:visible;mso-wrap-style:square'>
    24392431 <v:imagedata src="SimpleMagnetic_files/image043.png" o:title=""/>
    24402432</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=308
    2441 src="SimpleMagnetic_files/image102.png" v:shapes="_x0000_i1078"><![endif]></span></p>
     2433src="SimpleMagnetic_files/image040.png" v:shapes="Picture_x0020_24"><![endif]></span></p>
    24422434
    24432435<p class=MsoNormal>It now shows the magnetic space group as <span class=SpellE>Pn’ma</span>’.
    … …  
    24472439
    24482440<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2449  id="Picture_x0020_25" o:spid="_x0000_i1077" type="#_x0000_t75" style='width:468pt;
     2441 id="Picture_x0020_25" o:spid="_x0000_i1075" type="#_x0000_t75" style='width:468pt;
    24502442 height:121.5pt;visibility:visible;mso-wrap-style:square'>
    24512443 <v:imagedata src="SimpleMagnetic_files/image045.png" o:title=""/>
    24522444</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=162
    2453 src="SimpleMagnetic_files/image103.png" v:shapes="Picture_x0020_25"><![endif]></span></p>
     2445src="SimpleMagnetic_files/image042.png" v:shapes="Picture_x0020_25"><![endif]></span></p>
    24542446
    24552447<p class=MsoNormal><span class=GramE>with</span> 0.0 in each of the magnetic
    … …  
    24912483
    24922484<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2493  id="Picture_x0020_26" o:spid="_x0000_i1076" type="#_x0000_t75" style='width:315.75pt;
     2485 id="Picture_x0020_26" o:spid="_x0000_i1074" type="#_x0000_t75" style='width:315.75pt;
    24942486 height:230.25pt;visibility:visible;mso-wrap-style:square'>
    24952487 <v:imagedata src="SimpleMagnetic_files/image047.png" o:title=""/>
    24962488</v:shape><![endif]--><![if !vml]><img border=0 width=421 height=307
    2497 src="SimpleMagnetic_files/image105.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
     2489src="SimpleMagnetic_files/image044.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
    24982490
    24992491<p class=MsoNormal>Under the <b style='mso-bidi-font-weight:normal'><span
    … …  
    25062498
    25072499<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2508  id="Picture_x0020_34" o:spid="_x0000_i1075" type="#_x0000_t75" style='width:333pt;
     2500 id="Picture_x0020_34" o:spid="_x0000_i1073" type="#_x0000_t75" style='width:333pt;
    25092501 height:168.75pt;visibility:visible;mso-wrap-style:square'>
    25102502 <v:imagedata src="SimpleMagnetic_files/image049.png" o:title=""/>
    25112503</v:shape><![endif]--><![if !vml]><img border=0 width=444 height=225
    2512 src="SimpleMagnetic_files/image107.png" v:shapes="Picture_x0020_34"><![endif]></span></p>
     2504src="SimpleMagnetic_files/image046.png" v:shapes="Picture_x0020_34"><![endif]></span></p>
    25132505
    25142506<p class=MsoNormal>Scroll down to the bottom and select <b style='mso-bidi-font-weight:
    … …  
    25222514
    25232515<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2524  id="Picture_x0020_35" o:spid="_x0000_i1074" type="#_x0000_t75" style='width:312pt;
     2516 id="Picture_x0020_35" o:spid="_x0000_i1072" type="#_x0000_t75" style='width:312pt;
    25252517 height:227.25pt;visibility:visible;mso-wrap-style:square'>
    25262518 <v:imagedata src="SimpleMagnetic_files/image051.png" o:title=""/>
    25272519</v:shape><![endif]--><![if !vml]><img border=0 width=416 height=303
    2528 src="SimpleMagnetic_files/image108.png" v:shapes="Picture_x0020_35"><![endif]></span></p>
     2520src="SimpleMagnetic_files/image048.png" v:shapes="Picture_x0020_35"><![endif]></span></p>
    25292521
    25302522<p class=MsoNormal>Now return to phases and select <b style='mso-bidi-font-weight:
    … …  
    25372529
    25382530<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2539  id="Picture_x0020_37" o:spid="_x0000_i1073" type="#_x0000_t75" style='width:366.75pt;
     2531 id="Picture_x0020_37" o:spid="_x0000_i1071" type="#_x0000_t75" style='width:366.75pt;
    25402532 height:75.75pt;visibility:visible;mso-wrap-style:square'>
    25412533 <v:imagedata src="SimpleMagnetic_files/image053.png" o:title=""/>
    25422534</v:shape><![endif]--><![if !vml]><img border=0 width=489 height=101
    2543 src="SimpleMagnetic_files/image109.png" v:shapes="Picture_x0020_37"><![endif]></span></p>
     2535src="SimpleMagnetic_files/image050.png" v:shapes="Picture_x0020_37"><![endif]></span></p>
    25442536
    25452537<p class=MsoNormal>The least squares will not begin a refinement of <span
    … …  
    25582550
    25592551<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2560  id="_x0000_i1072" type="#_x0000_t75" style='width:463.5pt;height:425.25pt;
    2561  visibility:visible;mso-wrap-style:square'>
     2552 id="Picture_x0020_30" o:spid="_x0000_i1070" type="#_x0000_t75" style='width:463.5pt;
     2553 height:425.25pt;visibility:visible;mso-wrap-style:square'>
    25622554 <v:imagedata src="SimpleMagnetic_files/image055.png" o:title=""/>
    25632555</v:shape><![endif]--><![if !vml]><img border=0 width=618 height=567
    2564 src="SimpleMagnetic_files/image113.png" v:shapes="_x0000_i1072"><![endif]></span></p>
     2556src="SimpleMagnetic_files/image052.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
    25652557
    25662558<p class=MsoNormal>There does not appear to be any calculated magnetic
    … …  
    25692561
    25702562<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2571  id="_x0000_i1071" type="#_x0000_t75" style='width:463.5pt;height:425.25pt;
    2572  visibility:visible;mso-wrap-style:square'>
     2563 id="Picture_x0020_31" o:spid="_x0000_i1069" type="#_x0000_t75" style='width:463.5pt;
     2564 height:425.25pt;visibility:visible;mso-wrap-style:square'>
    25732565 <v:imagedata src="SimpleMagnetic_files/image057.png" o:title=""/>
    25742566</v:shape><![endif]--><![if !vml]><img border=0 width=618 height=567
    2575 src="SimpleMagnetic_files/image115.png" v:shapes="_x0000_i1071"><![endif]></span></p>
     2567src="SimpleMagnetic_files/image054.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
    25762568
    25772569<p class=MsoNormal>The magnetic moment is clearly too small; to let the least
    … …  
    25862578
    25872579<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2588  id="Picture_x0020_40" o:spid="_x0000_i1070" type="#_x0000_t75" style='width:463.5pt;
     2580 id="Picture_x0020_40" o:spid="_x0000_i1068" type="#_x0000_t75" style='width:463.5pt;
    25892581 height:426pt;visibility:visible;mso-wrap-style:square'>
    25902582 <v:imagedata src="SimpleMagnetic_files/image059.png" o:title=""/>
    25912583</v:shape><![endif]--><![if !vml]><img border=0 width=618 height=568
    2592 src="SimpleMagnetic_files/image116.png" v:shapes="Picture_x0020_40"><![endif]></span></p>
     2584src="SimpleMagnetic_files/image056.png" v:shapes="Picture_x0020_40"><![endif]></span></p>
    25932585
    25942586<p class=MsoNormal>This appears to be a reasonable solution; a more complete
    … …  
    26152607
    26162608<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2617  id="Picture_x0020_33" o:spid="_x0000_i1069" type="#_x0000_t75" style='width:465.75pt;
     2609 id="Picture_x0020_33" o:spid="_x0000_i1067" type="#_x0000_t75" style='width:465.75pt;
    26182610 height:263.25pt;visibility:visible;mso-wrap-style:square'>
    26192611 <v:imagedata src="SimpleMagnetic_files/image061.png" o:title=""/>
    26202612</v:shape><![endif]--><![if !vml]><img border=0 width=621 height=351
    2621 src="SimpleMagnetic_files/image117.png" v:shapes="Picture_x0020_33"><![endif]></span></p>
     2613src="SimpleMagnetic_files/image058.png" v:shapes="Picture_x0020_33"><![endif]></span></p>
    26222614
    26232615<p class=MsoNormal>Now set the spin operators to all “<b style='mso-bidi-font-weight:
    … …  
    26302622
    26312623<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2632  id="Picture_x0020_18" o:spid="_x0000_i1068" type="#_x0000_t75" style='width:464.25pt;
     2624 id="Picture_x0020_18" o:spid="_x0000_i1066" type="#_x0000_t75" style='width:464.25pt;
    26332625 height:93pt;visibility:visible;mso-wrap-style:square'>
    26342626 <v:imagedata src="SimpleMagnetic_files/image063.png" o:title=""/>
    26352627</v:shape><![endif]--><![if !vml]><img border=0 width=619 height=124
    2636 src="SimpleMagnetic_files/image118.png" v:shapes="Picture_x0020_18"><![endif]></span></p>
     2628src="SimpleMagnetic_files/image060.png" v:shapes="Picture_x0020_18"><![endif]></span></p>
    26372629
    26382630<p class=MsoNormal>Again, one can make the same argument that since the 010
    … …  
    26602652
    26612653<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2662  id="Picture_x0020_19" o:spid="_x0000_i1067" type="#_x0000_t75" style='width:464.25pt;
     2654 id="Picture_x0020_19" o:spid="_x0000_i1065" type="#_x0000_t75" style='width:464.25pt;
    26632655 height:426pt;visibility:visible;mso-wrap-style:square'>
    26642656 <v:imagedata src="SimpleMagnetic_files/image065.png" o:title=""/>
    26652657</v:shape><![endif]--><![if !vml]><img border=0 width=619 height=568
    2666 src="SimpleMagnetic_files/image122.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
     2658src="SimpleMagnetic_files/image062.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
    26672659
    26682660<p class=MsoNormal>There is intensity in the lowest angle reflection (the 010)
    … …  
    26832675
    26842676<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2685  id="Picture_x0020_20" o:spid="_x0000_i1066" type="#_x0000_t75" style='width:459pt;
     2677 id="Picture_x0020_20" o:spid="_x0000_i1064" type="#_x0000_t75" style='width:459pt;
    26862678 height:188.25pt;visibility:visible;mso-wrap-style:square'>
    26872679 <v:imagedata src="SimpleMagnetic_files/image104.png" o:title=""/>
    26882680</v:shape><![endif]--><![if !vml]><img border=0 width=612 height=251
    2689 src="SimpleMagnetic_files/image123.png" v:shapes="Picture_x0020_20"><![endif]></span></p>
    2690 
    2691 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2692  id="Picture_x0020_21" o:spid="_x0000_i1065" type="#_x0000_t75" style='width:457.5pt;
     2681src="SimpleMagnetic_files/image064.png" v:shapes="Picture_x0020_20"><![endif]></span></p>
     2682
     2683<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     2684 id="Picture_x0020_21" o:spid="_x0000_i1063" type="#_x0000_t75" style='width:457.5pt;
    26932685 height:176.25pt;visibility:visible;mso-wrap-style:square'>
    26942686 <v:imagedata src="SimpleMagnetic_files/image106.png" o:title=""/>
    26952687</v:shape><![endif]--><![if !vml]><img border=0 width=610 height=235
    2696 src="SimpleMagnetic_files/image124.png" v:shapes="Picture_x0020_21"><![endif]></span></p>
     2688src="SimpleMagnetic_files/image066.png" v:shapes="Picture_x0020_21"><![endif]></span></p>
    26972689
    26982690<p class=MsoNormal>You can see in particular at the pair of peaks at 33.3 and
    … …  
    27162708
    27172709<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2718  id="Picture_x0020_38" o:spid="_x0000_i1064" type="#_x0000_t75" style='width:454.5pt;
     2710 id="Picture_x0020_38" o:spid="_x0000_i1062" type="#_x0000_t75" style='width:454.5pt;
    27192711 height:396pt;visibility:visible;mso-wrap-style:square'>
    27202712 <v:imagedata src="SimpleMagnetic_files/image110.png" o:title=""/>
    27212713</v:shape><![endif]--><![if !vml]><img border=0 width=606 height=528
    2722 src="SimpleMagnetic_files/image125.png" v:shapes="Picture_x0020_38"><![endif]></span></p>
     2714src="SimpleMagnetic_files/image068.png" v:shapes="Picture_x0020_38"><![endif]></span></p>
    27232715
    27242716<p class=MsoNormal>Looking at the plot, it would seem that the lattice
    … …  
    27392731
    27402732<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2741  id="Picture_x0020_39" o:spid="_x0000_i1063" type="#_x0000_t75" style='width:359.25pt;
     2733 id="Picture_x0020_39" o:spid="_x0000_i1061" type="#_x0000_t75" style='width:359.25pt;
    27422734 height:237.75pt;visibility:visible;mso-wrap-style:square'>
    27432735 <v:imagedata src="SimpleMagnetic_files/image114.png" o:title=""/>
    27442736</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=317
    2745 src="SimpleMagnetic_files/image131.png" v:shapes="Picture_x0020_39"><![endif]></span></p>
     2737src="SimpleMagnetic_files/image070.png" v:shapes="Picture_x0020_39"><![endif]></span></p>
    27462738
    27472739<p class=MsoNormal>Since the scan covers a very wide range in 2<span
    … …  
    27752767
    27762768<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2777  id="Picture_x0020_41" o:spid="_x0000_i1062" type="#_x0000_t75" style='width:465pt;
    2778  height:404.25pt;visibility:visible;mso-wrap-style:square'>
     2769 id="_x0000_i1060" type="#_x0000_t75" style='width:465pt;height:404.25pt;
     2770 visibility:visible;mso-wrap-style:square'>
    27792771 <v:imagedata src="SimpleMagnetic_files/image072.png" o:title=""/>
    27802772</v:shape><![endif]--><![if !vml]><img border=0 width=620 height=539
    2781 src="SimpleMagnetic_files/image132.png" v:shapes="Picture_x0020_41"><![endif]></span></p>
     2773src="SimpleMagnetic_files/image073.png" v:shapes="_x0000_i1060"><![endif]></span></p>
    27822774
    27832775<p class=MsoNormal>Now we can add refinement of the atom positions and thermal
    … …  
    28282820
    28292821<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2830  id="_x0000_i1061" type="#_x0000_t75" style='width:461.25pt;height:395.25pt;
    2831  visibility:visible;mso-wrap-style:square'>
     2822 id="Picture_x0020_41" o:spid="_x0000_i1059" type="#_x0000_t75" style='width:461.25pt;
     2823 height:395.25pt;visibility:visible;mso-wrap-style:square'>
    28322824 <v:imagedata src="SimpleMagnetic_files/image121.png" o:title=""/>
    28332825</v:shape><![endif]--><![if !vml]><img border=0 width=615 height=527
    2834 src="SimpleMagnetic_files/image133.png" v:shapes="_x0000_i1061"><![endif]></span></p>
     2826src="SimpleMagnetic_files/image074.png" v:shapes="Picture_x0020_41"><![endif]></span></p>
    28352827
    28362828<p class=MsoNormal>This curve shows a couple of peaks which are from some
    … …  
    28622854
    28632855<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2864  id="_x0000_i1060" type="#_x0000_t75" style='width:461.25pt;height:96.75pt;
    2865  visibility:visible;mso-wrap-style:square'>
     2856 id="Picture_x0020_42" o:spid="_x0000_i1058" type="#_x0000_t75" style='width:461.25pt;
     2857 height:96.75pt;visibility:visible;mso-wrap-style:square'>
    28662858 <v:imagedata src="SimpleMagnetic_files/image111.png" o:title=""/>
    28672859</v:shape><![endif]--><![if !vml]><img border=0 width=615 height=129
    2868 src="SimpleMagnetic_files/image135.png" v:shapes="_x0000_i1060"><![endif]></span></p>
     2860src="SimpleMagnetic_files/image075.png" v:shapes="Picture_x0020_42"><![endif]></span></p>
    28692861
    28702862<p class=MsoNormal><o:p>&nbsp;</o:p></p>
    … …  
    28802872
    28812873<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2882  id="Picture_x0020_44" o:spid="_x0000_i1059" type="#_x0000_t75" style='width:462pt;
     2874 id="Picture_x0020_44" o:spid="_x0000_i1057" type="#_x0000_t75" style='width:462pt;
    28832875 height:185.25pt;visibility:visible;mso-wrap-style:square'>
    28842876 <v:imagedata src="SimpleMagnetic_files/image119.png" o:title=""/>
    28852877</v:shape><![endif]--><![if !vml]><img border=0 width=616 height=247
    2886 src="SimpleMagnetic_files/image137.png" v:shapes="Picture_x0020_44"><![endif]></span></p>
     2878src="SimpleMagnetic_files/image076.png" v:shapes="Picture_x0020_44"><![endif]></span></p>
    28872879
    28882880<p class=MsoNormal>The plot will show the unit cell contents of <span
    … …  
    28932885
    28942886<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2895  id="Picture_x0020_45" o:spid="_x0000_i1058" type="#_x0000_t75" style='width:457.5pt;
     2887 id="Picture_x0020_45" o:spid="_x0000_i1056" type="#_x0000_t75" style='width:457.5pt;
    28962888 height:384.75pt;visibility:visible;mso-wrap-style:square'>
    28972889 <v:imagedata src="SimpleMagnetic_files/image126.png" o:title=""/>
    28982890</v:shape><![endif]--><![if !vml]><img border=0 width=610 height=513
    2899 src="SimpleMagnetic_files/image139.png" v:shapes="Picture_x0020_45"><![endif]></span></p>
     2891src="SimpleMagnetic_files/image077.png" v:shapes="Picture_x0020_45"><![endif]></span></p>
    29002892
    29012893<p class=MsoNormal>This completes this tutorial; you can save the project if
    … …  
    29062898<p class=MsoNormal>The magnetic structure of LaMnO<sub>3</sub> can be
    29072899profoundly changed by addition of Ca in place of some of the La; in this case
    2908 ferromagnetic ordering apparently was obtained. This tutorial will investigate that
    2909 from neutron powder data collected at 50K on the same instrument as the first
    2910 exercise (BT1 at NIST; thanks to Qingzhen Huang for providing the data). Start
    2911 GSAS-II if you have not done so already.</p>
     2900ferromagnetic ordering apparently was obtained. This tutorial will investigate
     2901that from neutron powder data collected at 50K on the same instrument as the
     2902first exercise (BT1 at NIST; thanks to Qingzhen Huang for providing the data).
     2903Start GSAS-II if you have not done so already.</p>
    29122904
    29132905<p class=MsoNormal><o:p>&nbsp;</o:p></p>
    … …  
    30032995
    30042996<p class=MsoNormal style='margin-left:.25in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3005  id="Picture_x0020_27" o:spid="_x0000_i1057" type="#_x0000_t75" style='width:195.75pt;
     2997 id="Picture_x0020_27" o:spid="_x0000_i1055" type="#_x0000_t75" style='width:195.75pt;
    30062998 height:207pt;visibility:visible;mso-wrap-style:square'>
    30072999 <v:imagedata src="SimpleMagnetic_files/image067.png" o:title=""/>
    30083000</v:shape><![endif]--><![if !vml]><img border=0 width=261 height=276
    3009 src="SimpleMagnetic_files/image161.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
     3001src="SimpleMagnetic_files/image079.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
    30103002
    30113003<p class=MsoNormal style='margin-left:.25in'><span class=GramE>and</span> the
    … …  
    30133005
    30143006<p class=MsoNormal style='margin-left:.25in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3015  id="Picture_x0020_28" o:spid="_x0000_i1056" type="#_x0000_t75" style='width:447pt;
     3007 id="Picture_x0020_28" o:spid="_x0000_i1054" type="#_x0000_t75" style='width:447pt;
    30163008 height:407.25pt;visibility:visible;mso-wrap-style:square'>
    30173009 <v:imagedata src="SimpleMagnetic_files/image069.png" o:title=""/>
    30183010</v:shape><![endif]--><![if !vml]><img border=0 width=596 height=543
    3019 src="SimpleMagnetic_files/image162.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
     3011src="SimpleMagnetic_files/image094.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
    30203012
    30213013<h3>Step 2: Select Limits </h3>
    … …  
    30483040
    30493041<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3050  id="Picture_x0020_29" o:spid="_x0000_i1055" type="#_x0000_t75" style='width:468pt;
     3042 id="Picture_x0020_29" o:spid="_x0000_i1053" type="#_x0000_t75" style='width:468pt;
    30513043 height:426pt;visibility:visible;mso-wrap-style:square'>
    30523044 <v:imagedata src="SimpleMagnetic_files/image071.png" o:title=""/>
    30533045</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=568
    3054 src="SimpleMagnetic_files/image163.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
     3046src="SimpleMagnetic_files/image096.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
    30553047
    30563048<h3><a name="sucrose_peak_fit"></a>Step 3: Read in the chemical structure for
    … …  
    31173109
    31183110<p class=MsoNormal style='margin-left:.25in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3119  id="Picture_x0020_46" o:spid="_x0000_i1054" type="#_x0000_t75" style='width:210pt;
     3111 id="Picture_x0020_46" o:spid="_x0000_i1052" type="#_x0000_t75" style='width:210pt;
    31203112 height:168pt;visibility:visible;mso-wrap-style:square'>
    31213113 <v:imagedata src="SimpleMagnetic_files/image134.png" o:title=""/>
    31223114</v:shape><![endif]--><![if !vml]><img border=0 width=280 height=224
    3123 src="SimpleMagnetic_files/image164.png" v:shapes="Picture_x0020_46"><![endif]></span></p>
     3115src="SimpleMagnetic_files/image112.png" v:shapes="Picture_x0020_46"><![endif]></span></p>
    31243116
    31253117<p class=MsoNormal style='margin-left:.25in'>Select the histogram (or press <b
    … …  
    31313123The General tab for the phase is shown next<br>
    31323124<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_47"
    3133  o:spid="_x0000_i1053" type="#_x0000_t75" style='width:448.5pt;height:228pt;
     3125 o:spid="_x0000_i1051" type="#_x0000_t75" style='width:448.5pt;height:228pt;
    31343126 visibility:visible;mso-wrap-style:square'>
    31353127 <v:imagedata src="SimpleMagnetic_files/image136.png" o:title=""/>
    31363128</v:shape><![endif]--><![if !vml]><img border=0 width=598 height=304
    3137 src="SimpleMagnetic_files/image165.png" v:shapes="Picture_x0020_47"><![endif]></span></p>
     3129src="SimpleMagnetic_files/image120.png" v:shapes="Picture_x0020_47"><![endif]></span></p>
    31383130
    31393131<p class=MsoNormal style='margin-left:.25in'>Notice that the space group from
    … …  
    31553147the Indexing controls will be shown<br>
    31563148<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_48"
    3157  o:spid="_x0000_i1052" type="#_x0000_t75" style='width:466.5pt;height:165.75pt;
     3149 o:spid="_x0000_i1050" type="#_x0000_t75" style='width:466.5pt;height:165.75pt;
    31583150 visibility:visible;mso-wrap-style:square'>
    31593151 <v:imagedata src="SimpleMagnetic_files/image138.png" o:title=""/>
    31603152</v:shape><![endif]--><![if !vml]><img border=0 width=622 height=221
    3161 src="SimpleMagnetic_files/image166.png" v:shapes="Picture_x0020_48"><![endif]></span></p>
     3153src="SimpleMagnetic_files/image127.png" v:shapes="Picture_x0020_48"><![endif]></span></p>
    31623154
    31633155<p class=MsoListParagraphCxSpFirst style='margin-left:0in;mso-add-space:auto'>This
    … …  
    31803172<p class=MsoListParagraphCxSpLast style='margin-left:0in;mso-add-space:auto'><span
    31813173style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_49"
    3182  o:spid="_x0000_i1051" type="#_x0000_t75" style='width:466.5pt;height:165.75pt;
     3174 o:spid="_x0000_i1049" type="#_x0000_t75" style='width:466.5pt;height:165.75pt;
    31833175 visibility:visible;mso-wrap-style:square'>
    31843176 <v:imagedata src="SimpleMagnetic_files/image143.png" o:title=""/>
    31853177</v:shape><![endif]--><![if !vml]><img border=0 width=622 height=221
    3186 src="SimpleMagnetic_files/image167.png" v:shapes="Picture_x0020_49"><![endif]></span><br
     3178src="SimpleMagnetic_files/image128.png" v:shapes="Picture_x0020_49"><![endif]></span><br
    31873179style='mso-special-character:line-break'>
    31883180<![if !supportLineBreakNewLine]><br style='mso-special-character:line-break'>
    … …  
    32023194calculated reflection line positions. Zoom in on the lowest part of the pattern
    32033195to see details of the indexing<span style='mso-no-proof:yes'> <!--[if gte vml 1]><v:shape
    3204  id="Picture_x0020_50" o:spid="_x0000_i1050" type="#_x0000_t75" style='width:465.75pt;
     3196 id="Picture_x0020_50" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:465.75pt;
    32053197 height:327pt;visibility:visible;mso-wrap-style:square'>
    32063198 <v:imagedata src="SimpleMagnetic_files/image145.png" o:title=""/>
    32073199</v:shape><![endif]--><![if !vml]><img border=0 width=621 height=436
    3208 src="SimpleMagnetic_files/image168.png" v:shapes="Picture_x0020_50"><![endif]></span></p>
     3200src="SimpleMagnetic_files/image129.png" v:shapes="Picture_x0020_50"><![endif]></span></p>
    32093201
    32103202<p class=MsoListParagraphCxSpLast style='margin-left:0in;mso-add-space:auto'>Note
    … …  
    32173209
    32183210<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3219  id="Picture_x0020_51" o:spid="_x0000_i1049" type="#_x0000_t75" style='width:468.75pt;
     3211 id="Picture_x0020_51" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:468.75pt;
    32203212 height:329.25pt;visibility:visible;mso-wrap-style:square'>
    32213213 <v:imagedata src="SimpleMagnetic_files/image147.png" o:title=""/>
    32223214</v:shape><![endif]--><![if !vml]><img border=0 width=625 height=439
    3223 src="SimpleMagnetic_files/image169.png" v:shapes="Picture_x0020_51"><![endif]></span><br>
     3215src="SimpleMagnetic_files/image130.png" v:shapes="Picture_x0020_51"><![endif]></span><br>
    32243216Then check the box <b style='mso-bidi-font-weight:normal'><span
    32253217style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    … …  
    32303222<p class=MsoListParagraphCxSpFirst style='margin-left:0in;mso-add-space:auto'><span
    32313223style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_52"
    3232  o:spid="_x0000_i1048" type="#_x0000_t75" style='width:467.25pt;height:149.25pt;
     3224 o:spid="_x0000_i1046" type="#_x0000_t75" style='width:467.25pt;height:149.25pt;
    32333225 visibility:visible;mso-wrap-style:square'>
    32343226 <v:imagedata src="SimpleMagnetic_files/image149.png" o:title=""/>
    32353227</v:shape><![endif]--><![if !vml]><img border=0 width=623 height=199
    3236 src="SimpleMagnetic_files/image171.png" v:shapes="Picture_x0020_52"><![endif]></span></p>
     3228src="SimpleMagnetic_files/image140.png" v:shapes="Picture_x0020_52"><![endif]></span></p>
    32373229
    32383230<p class=MsoListParagraphCxSpLast style='margin-left:0in;mso-add-space:auto'>Because
    … …  
    32533245
    32543246<p class=MsoNormal>In the previous step we did not have to resort to any
    3255 doubling of a cell axis to explain the suite of magnetic reflections, so the
    3256 propagation vector is zero (in case anyone asks!). To make the magnetic cell
    3257 from the chemical cell we will use the transform tool that is in GSAS-II in the
    3258 General tab for the chemical structure. That tab is</p>
     3247doubling of a cell axis to explain the suite of magnetic reflections, so the propagation
     3248vector is zero (in case anyone asks!). To make the magnetic cell from the
     3249chemical cell we will use the transform tool that is in GSAS-II in the General
     3250tab for the chemical structure. That tab is</p>
    32593251
    32603252<p class=MsoListParagraph style='margin-left:0in;mso-add-space:auto'><span
    32613253style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_53"
    3262  o:spid="_x0000_i1047" type="#_x0000_t75" style='width:467.25pt;height:206.25pt;
     3254 o:spid="_x0000_i1045" type="#_x0000_t75" style='width:467.25pt;height:206.25pt;
    32633255 visibility:visible;mso-wrap-style:square'>
    32643256 <v:imagedata src="SimpleMagnetic_files/image151.png" o:title=""/>
    32653257</v:shape><![endif]--><![if !vml]><img border=0 width=623 height=275
    3266 src="SimpleMagnetic_files/image173.png" v:shapes="Picture_x0020_53"><![endif]></span></p>
     3258src="SimpleMagnetic_files/image141.png" v:shapes="Picture_x0020_53"><![endif]></span></p>
    32673259
    32683260<p class=MsoNormal>Under the <b style='mso-bidi-font-weight:normal'><span
    … …  
    32753267
    32763268<p class=MsoListParagraph style='margin-left:0in;mso-add-space:auto'><span
    3277 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_1"
    3278  o:spid="_x0000_i1046" type="#_x0000_t75" style='width:207.75pt;height:238.5pt;
     3269style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_78"
     3270 o:spid="_x0000_i1044" type="#_x0000_t75" style='width:274.5pt;height:327pt;
    32793271 visibility:visible;mso-wrap-style:square'>
    3280  <v:imagedata src="SimpleMagnetic_files/image175.png" o:title=""/>
    3281 </v:shape><![endif]--><![if !vml]><img border=0 width=277 height=318
    3282 src="SimpleMagnetic_files/image177.png" v:shapes="Picture_x0020_1"><![endif]></span></p>
     3272 <v:imagedata src="SimpleMagnetic_files/image142.png" o:title=""/>
     3273</v:shape><![endif]--><![if !vml]><img border=0 width=366 height=436
     3274src="SimpleMagnetic_files/image142.png" v:shapes="Picture_x0020_78"><![endif]></span></p>
    32833275
    32843276<p class=MsoNormal>The order of operations for the transformation is given at
    … …  
    32913283
    32923284<p class=MsoListParagraph style='margin-left:0in;mso-add-space:auto'><span
    3293 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_2"
    3294  o:spid="_x0000_i1045" type="#_x0000_t75" style='width:206.25pt;height:252pt;
     3285style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_79"
     3286 o:spid="_x0000_i1043" type="#_x0000_t75" style='width:212.25pt;height:252.75pt;
    32953287 visibility:visible;mso-wrap-style:square'>
    3296  <v:imagedata src="SimpleMagnetic_files/image179.png" o:title=""/>
    3297 </v:shape><![endif]--><![if !vml]><img border=0 width=275 height=336
    3298 src="SimpleMagnetic_files/image181.png" v:shapes="Picture_x0020_2"><![endif]></span></p>
     3288 <v:imagedata src="SimpleMagnetic_files/image144.png" o:title=""/>
     3289</v:shape><![endif]--><![if !vml]><img border=0 width=283 height=337
     3290src="SimpleMagnetic_files/image144.png" v:shapes="Picture_x0020_79"><![endif]></span></p>
    32993291
    33003292<p class=MsoNormal>This allows one to select possible magnetic lattice
    … …  
    33043296are using the same nonstandard space group (<span class=SpellE>Pnma</span>) for
    33053297the magnetic cell that is used for the chemical cell. Leave the box at the
    3306 bottom about constraints checked as we want them to tie the two phases together.<span
    3307 style='mso-spacerun:yes'>  </span>Press <b style='mso-bidi-font-weight:normal'><span
    3308 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    3309 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>
     3298bottom about constraints checked as we want them to tie the two phases
     3299together.<span style='mso-spacerun:yes'>  </span>Press <b style='mso-bidi-font-weight:
     3300normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     3301minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>
    33103302to continue; a new popup will appear</p>
    33113303
    33123304<p class=MsoListParagraph style='margin-left:0in;mso-add-space:auto'><span
    33133305style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_56"
    3314  o:spid="_x0000_i1044" type="#_x0000_t75" style='width:147pt;height:65.25pt;
     3306 o:spid="_x0000_i1042" type="#_x0000_t75" style='width:147pt;height:65.25pt;
    33153307 visibility:visible;mso-wrap-style:square'>
    33163308 <v:imagedata src="SimpleMagnetic_files/image157.png" o:title=""/>
    33173309</v:shape><![endif]--><![if !vml]><img border=0 width=196 height=87
    3318 src="SimpleMagnetic_files/image183.png" v:shapes="Picture_x0020_56"><![endif]></span></p>
     3310src="SimpleMagnetic_files/image146.png" v:shapes="Picture_x0020_56"><![endif]></span></p>
    33193311
    33203312<p class=MsoNormal>This allows one to reject certain atoms that are known to
    … …  
    33273319<p class=MsoListParagraph style='margin-left:0in;mso-add-space:auto'><span
    33283320style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_57"
    3329  o:spid="_x0000_i1043" type="#_x0000_t75" style='width:464.25pt;height:273.75pt;
     3321 o:spid="_x0000_i1041" type="#_x0000_t75" style='width:464.25pt;height:273.75pt;
    33303322 visibility:visible;mso-wrap-style:square'>
    33313323 <v:imagedata src="SimpleMagnetic_files/image159.png" o:title=""/>
    33323324</v:shape><![endif]--><![if !vml]><img border=0 width=619 height=365
    3333 src="SimpleMagnetic_files/image185.png" v:shapes="Picture_x0020_57"><![endif]></span></p>
     3325src="SimpleMagnetic_files/image148.png" v:shapes="Picture_x0020_57"><![endif]></span></p>
    33343326
    33353327<p class=MsoNormal>The phase is named with “mag” appended to the end, the phase
    … …  
    33513343<p class=MsoListParagraphCxSpMiddle style='margin-left:0in;mso-add-space:auto'><span
    33523344style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_58"
    3353  o:spid="_x0000_i1042" type="#_x0000_t75" style='width:468.75pt;height:107.25pt;
     3345 o:spid="_x0000_i1040" type="#_x0000_t75" style='width:468.75pt;height:107.25pt;
    33543346 visibility:visible;mso-wrap-style:square'>
    33553347 <v:imagedata src="SimpleMagnetic_files/image170.png" o:title=""/>
    33563348</v:shape><![endif]--><![if !vml]><img border=0 width=625 height=143
    3357 src="SimpleMagnetic_files/image187.png" v:shapes="Picture_x0020_58"><![endif]></span></p>
     3349src="SimpleMagnetic_files/image150.png" v:shapes="Picture_x0020_58"><![endif]></span></p>
    33583350
    33593351<p class=MsoListParagraphCxSpMiddle style='margin-left:0in;mso-add-space:auto'>Notice
    3360 that <span class=SpellE>Mx</span>, My &amp; <span class=SpellE>Mz</span> are shown
    3361 with 0.0 for each and the site symmetry is “-1”; an inversion with no spin flip
    3362 allows the site to have a magnetic moment. So the all “black” configuration is
    3363 possible on the basis of the <span class=SpellE>Mn</span> site symmetry. If you
    3364 make one of the spin operators “<b style='mso-bidi-font-weight:normal'><span
    3365 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    3366 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>red</span></b>”
     3352that <span class=SpellE>Mx</span>, My &amp; <span class=SpellE>Mz</span> are
     3353shown with 0.0 for each and the site symmetry is “-1”; an inversion with no
     3354spin flip allows the site to have a magnetic moment. So the all “black”
     3355configuration is possible on the basis of the <span class=SpellE>Mn</span> site
     3356symmetry. If you make one of the spin operators “<b style='mso-bidi-font-weight:
     3357normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     3358minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>red</span></b>”
    33673359(say <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    33683360mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    … …  
    33783370<p class=MsoListParagraphCxSpMiddle style='margin-left:0in;mso-add-space:auto'><span
    33793371style='mso-spacerun:yes'> </span><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3380  id="Picture_x0020_60" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:240pt;
     3372 id="Picture_x0020_60" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:240pt;
    33813373 height:199.5pt;visibility:visible;mso-wrap-style:square'>
    33823374 <v:imagedata src="SimpleMagnetic_files/image172.png" o:title=""/>
    33833375</v:shape><![endif]--><![if !vml]><img border=0 width=320 height=266
    3384 src="SimpleMagnetic_files/image189.png" v:shapes="Picture_x0020_60"><![endif]></span></p>
     3376src="SimpleMagnetic_files/image152.png" v:shapes="Picture_x0020_60"><![endif]></span></p>
    33853377
    33863378<p class=MsoListParagraphCxSpMiddle style='margin-left:0in;mso-add-space:auto'>The
    … …  
    33933385<p class=MsoListParagraphCxSpMiddle style='margin-left:0in;mso-add-space:auto'><span
    33943386style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_61"
    3395  o:spid="_x0000_i1040" type="#_x0000_t75" style='width:475.5pt;height:99.75pt;
     3387 o:spid="_x0000_i1038" type="#_x0000_t75" style='width:475.5pt;height:99.75pt;
    33963388 visibility:visible;mso-wrap-style:square'>
    33973389 <v:imagedata src="SimpleMagnetic_files/image174.png" o:title=""/>
    33983390</v:shape><![endif]--><![if !vml]><img border=0 width=634 height=133
    3399 src="SimpleMagnetic_files/image191.png" v:shapes="Picture_x0020_61"><![endif]></span></p>
     3391src="SimpleMagnetic_files/image153.png" v:shapes="Picture_x0020_61"><![endif]></span></p>
    34003392
    34013393<p class=MsoListParagraphCxSpLast style='margin-left:0in;mso-add-space:auto'>If
    … …  
    34493441<p class=MsoListParagraphCxSpMiddle style='margin-left:0in;mso-add-space:auto'><span
    34503442style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_64"
    3451  o:spid="_x0000_i1039" type="#_x0000_t75" style='width:519pt;height:364.5pt;
     3443 o:spid="_x0000_i1037" type="#_x0000_t75" style='width:519pt;height:364.5pt;
    34523444 visibility:visible;mso-wrap-style:square'>
    34533445 <v:imagedata src="SimpleMagnetic_files/image176.png" o:title=""/>
    34543446</v:shape><![endif]--><![if !vml]><img border=0 width=692 height=486
    3455 src="SimpleMagnetic_files/image193.png" v:shapes="Picture_x0020_64"><![endif]></span></p>
     3447src="SimpleMagnetic_files/image154.png" v:shapes="Picture_x0020_64"><![endif]></span></p>
    34563448
    34573449<p class=MsoListParagraphCxSpLast style='margin-left:0in;mso-add-space:auto'>Clearly
    … …  
    35203512
    35213513<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3522  id="Picture_x0020_63" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:468pt;
     3514 id="Picture_x0020_63" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:468pt;
    35233515 height:89.25pt;visibility:visible;mso-wrap-style:square'>
    35243516 <v:imagedata src="SimpleMagnetic_files/image178.png" o:title=""/>
    35253517</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=119
    3526 src="SimpleMagnetic_files/image208.png" v:shapes="Picture_x0020_63"><![endif]></span></p>
     3518src="SimpleMagnetic_files/image155.png" v:shapes="Picture_x0020_63"><![endif]></span></p>
    35273519
    35283520<p class=MsoNormal>Then do <b style='mso-bidi-font-weight:normal'><span
    … …  
    35333525
    35343526<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3535  id="Picture_x0020_65" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:468.75pt;
     3527 id="Picture_x0020_65" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:468.75pt;
    35363528 height:329.25pt;visibility:visible;mso-wrap-style:square'>
    35373529 <v:imagedata src="SimpleMagnetic_files/image180.png" o:title=""/>
    35383530</v:shape><![endif]--><![if !vml]><img border=0 width=625 height=439
    3539 src="SimpleMagnetic_files/image210.png" v:shapes="Picture_x0020_65"><![endif]></span></p>
     3531src="SimpleMagnetic_files/image156.png" v:shapes="Picture_x0020_65"><![endif]></span></p>
    35403532
    35413533<p class=MsoNormal><span class=GramE>and</span> the magnetic moment components
    … …  
    35433535
    35443536<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3545  id="Picture_x0020_66" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:471pt;
     3537 id="Picture_x0020_66" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:471pt;
    35463538 height:92.25pt;visibility:visible;mso-wrap-style:square'>
    35473539 <v:imagedata src="SimpleMagnetic_files/image182.png" o:title=""/>
    35483540</v:shape><![endif]--><![if !vml]><img border=0 width=628 height=123
    3549 src="SimpleMagnetic_files/image212.png" v:shapes="Picture_x0020_66"><![endif]></span></p>
     3541src="SimpleMagnetic_files/image158.png" v:shapes="Picture_x0020_66"><![endif]></span></p>
    35503542
    35513543<p class=MsoNormal>So we test the next possibility.</p>
    … …  
    35963588
    35973589<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3598  id="Picture_x0020_67" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:472.5pt;
     3590 id="Picture_x0020_67" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:472.5pt;
    35993591 height:331.5pt;visibility:visible;mso-wrap-style:square'>
    36003592 <v:imagedata src="SimpleMagnetic_files/image184.png" o:title=""/>
    36013593</v:shape><![endif]--><![if !vml]><img border=0 width=630 height=442
    3602 src="SimpleMagnetic_files/image214.png" v:shapes="Picture_x0020_67"><![endif]></span></p>
     3594src="SimpleMagnetic_files/image160.png" v:shapes="Picture_x0020_67"><![endif]></span></p>
    36033595
    36043596<p class=MsoNormal>The <b style='mso-bidi-font-weight:normal'><span
    … …  
    36103602
    36113603<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3612  id="Picture_x0020_68" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:472.5pt;
     3604 id="Picture_x0020_68" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:472.5pt;
    36133605 height:88.5pt;visibility:visible;mso-wrap-style:square'>
    36143606 <v:imagedata src="SimpleMagnetic_files/image186.png" o:title=""/>
    36153607</v:shape><![endif]--><![if !vml]><img border=0 width=630 height=118
    3616 src="SimpleMagnetic_files/image218.png" v:shapes="Picture_x0020_68"><![endif]></span></p>
     3608src="SimpleMagnetic_files/image175.png" v:shapes="Picture_x0020_68"><![endif]></span></p>
    36173609
    36183610<p class=MsoNormal>Let’s test the next one.</p>
    … …  
    36613653
    36623654<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3663  id="Picture_x0020_69" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:471.75pt;
     3655 id="Picture_x0020_69" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:471.75pt;
    36643656 height:330.75pt;visibility:visible;mso-wrap-style:square'>
    36653657 <v:imagedata src="SimpleMagnetic_files/image188.png" o:title=""/>
    36663658</v:shape><![endif]--><![if !vml]><img border=0 width=629 height=441
    3667 src="SimpleMagnetic_files/image219.png" v:shapes="Picture_x0020_69"><![endif]></span></p>
     3659src="SimpleMagnetic_files/image179.png" v:shapes="Picture_x0020_69"><![endif]></span></p>
    36683660
    36693661<p class=MsoNormal>The <b style='mso-bidi-font-weight:normal'><span
    … …  
    36743666
    36753667<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3676  id="Picture_x0020_70" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:472.5pt;
     3668 id="Picture_x0020_70" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:472.5pt;
    36773669 height:94.5pt;visibility:visible;mso-wrap-style:square'>
    36783670 <v:imagedata src="SimpleMagnetic_files/image190.png" o:title=""/>
    36793671</v:shape><![endif]--><![if !vml]><img border=0 width=630 height=126
    3680 src="SimpleMagnetic_files/image220.png" v:shapes="Picture_x0020_70"><![endif]></span></p>
     3672src="SimpleMagnetic_files/image194.png" v:shapes="Picture_x0020_70"><![endif]></span></p>
    36813673
    36823674<p class=MsoNormal>We should now check the last spin configuration.</p>
    … …  
    37233715
    37243716<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3725  id="Picture_x0020_71" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:474.75pt;
     3717 id="Picture_x0020_71" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:474.75pt;
    37263718 height:333pt;visibility:visible;mso-wrap-style:square'>
    37273719 <v:imagedata src="SimpleMagnetic_files/image192.png" o:title=""/>
    37283720</v:shape><![endif]--><![if !vml]><img border=0 width=633 height=444
    3729 src="SimpleMagnetic_files/image221.png" v:shapes="Picture_x0020_71"><![endif]></span></p>
     3721src="SimpleMagnetic_files/image195.png" v:shapes="Picture_x0020_71"><![endif]></span></p>
    37303722
    37313723<p class=MsoNormal><span class=GramE>and</span> with the strong <span
    … …  
    37343726
    37353727<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3736  id="Picture_x0020_72" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:477pt;
     3728 id="Picture_x0020_72" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:477pt;
    37373729 height:81pt;visibility:visible;mso-wrap-style:square'>
    37383730 <v:imagedata src="SimpleMagnetic_files/image206.png" o:title=""/>
    37393731</v:shape><![endif]--><![if !vml]><img border=0 width=636 height=108
    3740 src="SimpleMagnetic_files/image222.png" v:shapes="Picture_x0020_72"><![endif]></span></p>
     3732src="SimpleMagnetic_files/image196.png" v:shapes="Picture_x0020_72"><![endif]></span></p>
    37413733
    37423734<p class=MsoNormal><o:p>&nbsp;</o:p></p>
    … …  
    37973789
    37983790<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3799  id="Picture_x0020_73" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:237.75pt;
     3791 id="Picture_x0020_73" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:237.75pt;
    38003792 height:510.75pt;visibility:visible;mso-wrap-style:square'>
    38013793 <v:imagedata src="SimpleMagnetic_files/image209.png" o:title=""/>
    38023794</v:shape><![endif]--><![if !vml]><img border=0 width=317 height=681
    3803 src="SimpleMagnetic_files/image223.png" v:shapes="Picture_x0020_73"><![endif]><!--[if gte vml 1]><v:shape
    3804  id="Picture_x0020_74" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:239.25pt;
     3795src="SimpleMagnetic_files/image197.png" v:shapes="Picture_x0020_73"><![endif]><!--[if gte vml 1]><v:shape
     3796 id="Picture_x0020_74" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:239.25pt;
    38053797 height:510pt;visibility:visible;mso-wrap-style:square'>
    38063798 <v:imagedata src="SimpleMagnetic_files/image211.png" o:title=""/>
    38073799</v:shape><![endif]--><![if !vml]><img border=0 width=319 height=680
    3808 src="SimpleMagnetic_files/image224.png" v:shapes="Picture_x0020_74"><![endif]></span></p>
     3800src="SimpleMagnetic_files/image198.png" v:shapes="Picture_x0020_74"><![endif]></span></p>
    38093801
    38103802<p class=MsoNormal>The magnetic peaks contributing to this peak are the 200,221
    … …  
    38183810
    38193811<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    3820  id="Picture_x0020_75" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:474pt;
     3812 id="Picture_x0020_75" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:474pt;
    38213813 height:501.75pt;visibility:visible;mso-wrap-style:square'>
    38223814 <v:imagedata src="SimpleMagnetic_files/image213.png" o:title=""/>
    38233815</v:shape><![endif]--><![if !vml]><img border=0 width=632 height=669
    3824 src="SimpleMagnetic_files/image225.png" v:shapes="Picture_x0020_75"><![endif]></span></p>
     3816src="SimpleMagnetic_files/image199.png" v:shapes="Picture_x0020_75"><![endif]></span></p>
    38253817
    38263818<p class=MsoNormal><span class=GramE>which</span> shows that the ferromagnetic

  • Tutorials/SimpleMagnetic/SimpleMagnetic_files/filelist.xml

    r3479 r3480  
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