Changeset 4029


Ignore:
Timestamp:
Jun 17, 2019 9:18:06 AM (4 years ago)
Author:
vondreele
Message:

use 0,1/2,0 & 0,0,0 for the propagation vectors instead of 0,0,1

Location:
Tutorials/Magnetic-V
Files:
3 edited

Legend:

Unmodified
Added
Removed

  • Tutorials/Magnetic-V/Magnetic-V.htm

    r3988 r4029  
    2323  <o:Author>Von Dreele</o:Author>
    2424  <o:LastAuthor>vondreele</o:LastAuthor>
    25   <o:Revision>2</o:Revision>
    26   <o:TotalTime>1892</o:TotalTime>
     25  <o:Revision>3</o:Revision>
     26  <o:TotalTime>1902</o:TotalTime>
    2727  <o:Created>2019-05-22T16:25:00Z</o:Created>
    28   <o:LastSaved>2019-05-22T16:25:00Z</o:LastSaved>
     28  <o:LastSaved>2019-06-17T14:16:00Z</o:LastSaved>
    2929  <o:Pages>1</o:Pages>
    3030  <o:Words>3760</o:Words>
    … …  
    4242<!--[if gte mso 9]><xml>
    4343 <w:WordDocument>
     44  <w:Zoom>172</w:Zoom>
    4445  <w:SpellingState>Clean</w:SpellingState>
    4546  <w:GrammarState>Clean</w:GrammarState>
    … …  
    656657 /* Font Definitions */
    657658 @font-face
    658         {font-family:"Cambria Math";
    659         panose-1:2 4 5 3 5 4 6 3 2 4;
    660         mso-font-charset:1;
    661         mso-generic-font-family:roman;
    662         mso-font-pitch:variable;
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    664 @font-face
    665659        {font-family:Calibri;
    666660        panose-1:2 15 5 2 2 2 4 3 2 4;
    … …  
    15601554<p class=MsoNormal>In this tutorial, we will show how GSAS-II makes use of the
    15611555Bilbao crystallographic server (<a href="http://www.cryst.ehu.es/">www.cryst.ehu.es/</a>)
    1562 <i style='mso-bidi-font-style:normal'>Magnetic Symmetry and Applications</i> routine
    1563 k-SUBGROUPSMAG (<a href="http://iopscience.iop.org/0953-8984/28/28/286001"><span
    1564 style='font-size:10.0pt;font-family:"Arial",sans-serif'>Perez-Mato, JM; <span
    1565 class=SpellE>Gallego</span>, SV; <span class=SpellE>Elcoro</span>, L; <span
    1566 class=SpellE>Tasci</span>, E and <span class=SpellE>Aroyo</span>, MI, <i>J. of
    1567 Phys.: <span class=SpellE>Condens</span> Matter</i> (2016), <b>28</b>:28601</span></a>)
    1568 to determine a magnetic crystal structure with two non-zero propagation
    1569 vectors. If you have not done so already, you may wish to do the Simple
    1570 Magnetic Structures tutorial first as it contains some background information
    1571 that will not be covered here. It is also helpful to do parts I - IV of the
    1572 series of Magnetic Structures tutorials. To make this work, your computer must
    1573 have an internet connection for GSAS-II to access this site. (We will supply
    1574 the project file that results after k-SUBGROUPSMAG is called in case you lack
    1575 internet access).</p>
     1556<i style='mso-bidi-font-style:normal'>Magnetic Symmetry and Applications</i>
     1557routine k-SUBGROUPSMAG (<a
     1558href="http://iopscience.iop.org/0953-8984/28/28/286001"><span style='font-size:
     155910.0pt;font-family:"Arial",sans-serif'>Perez-Mato, JM; <span class=SpellE>Gallego</span>,
     1560SV; <span class=SpellE>Elcoro</span>, L; <span class=SpellE>Tasci</span>, E and
     1561<span class=SpellE>Aroyo</span>, MI, <i>J. of Phys.: <span class=SpellE>Condens</span>
     1562Matter</i> (2016), <b>28</b>:28601</span></a>) to determine a magnetic crystal
     1563structure with two non-zero propagation vectors. If you have not done so
     1564already, you may wish to do the Simple Magnetic Structures tutorial first as it
     1565contains some background information that will not be covered here. It is also
     1566helpful to do parts I - IV of the series of Magnetic Structures tutorials. To
     1567make this work, your computer must have an internet connection for GSAS-II to
     1568access this site. (We will supply the project file that results after
     1569k-SUBGROUPSMAG is called in case you lack internet access).</p>
    15761570
    15771571<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
    … …  
    15991593 <v:imagedata src="Magnetic-V_files/image001.png" o:title=""/>
    16001594</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=637
    1601 src="Magnetic-V_files/image002.gif" v:shapes="Picture_x0020_1"><![endif]></span></p>
     1595src="Magnetic-V_files/image083.gif" v:shapes="Picture_x0020_1"><![endif]></span></p>
    16021596
    16031597<p class=MsoNormal>In this tutorial we will be examining Mn<sub>3</sub>O<sub>4</sub>
    … …  
    16571651minor-latin;mso-hansi-theme-font:minor-latin'>Magnetic-V/data/...</span></b><span
    16581652style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
    1659 entry will bring you to the location where the files have been downloaded. (It is
    1660 also possible to download them manually from <a
     1653entry will bring you to the location where the files have been downloaded. (It
     1654is also possible to download them manually from <a
    16611655href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-V/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-V/data/</a>.
    16621656In this case you will need to navigate to the download location manually.)<br>
    … …  
    16871681normal'>NB:</b> Don’t be tempted to read both data sets at once. The problem
    16881682with the <span class=SpellE>xye</span> format is that it has no provision for
    1689 identifying the instrument parameter file or the frame (“Bank”) number of the data.
    1690 If you did read both, then GSAS-II would use the <span class=SpellE>instprm</span>
     1683identifying the instrument parameter file or the frame (“Bank”) number of the
     1684data. If you did read both, then GSAS-II would use the <span class=SpellE>instprm</span>
    16911685file read in the next step and apply it inappropriately to both data sets. One
    16921686can recover from this error by selecting Instrument parameters and doing
    … …  
    17101704 <v:imagedata src="Magnetic-V_files/image003.png" o:title=""/>
    17111705</v:shape><![endif]--><![if !vml]><img border=0 width=452 height=286
    1712 src="Magnetic-V_files/image004.gif" v:shapes="Picture_x0020_2"><![endif]></span></p>
     1706src="Magnetic-V_files/image084.gif" v:shapes="Picture_x0020_2"><![endif]></span></p>
    17131707
    17141708<p class=MsoNormal style='margin-left:.25in'><span class=GramE>and</span> the
    … …  
    17201714 <v:imagedata src="Magnetic-V_files/image005.png" o:title=""/>
    17211715</v:shape><![endif]--><![if !vml]><img border=0 width=455 height=404
    1722 src="Magnetic-V_files/image006.gif" v:shapes="Picture_x0020_3"><![endif]></span></p>
     1716src="Magnetic-V_files/image085.gif" v:shapes="Picture_x0020_3"><![endif]></span></p>
    17231717
    17241718<p class=MsoNormal style='margin-left:.25in'><span class=GramE>which</span>
    … …  
    17341728 <v:imagedata src="Magnetic-V_files/image007.png" o:title=""/>
    17351729</v:shape><![endif]--><![if !vml]><img border=0 width=454 height=252
    1736 src="Magnetic-V_files/image008.gif" v:shapes="Picture_x0020_4"><![endif]></span></p>
     1730src="Magnetic-V_files/image086.gif" v:shapes="Picture_x0020_4"><![endif]></span></p>
    17371731
    17381732<p class=MsoNormal style='margin-left:.25in'>We want to remove the
    … …  
    17931787 <v:imagedata src="Magnetic-V_files/image009.png" o:title=""/>
    17941788</v:shape><![endif]--><![if !vml]><img border=0 width=455 height=470
    1795 src="Magnetic-V_files/image010.gif" v:shapes="Picture_x0020_5"><![endif]></span></p>
     1789src="Magnetic-V_files/image087.gif" v:shapes="Picture_x0020_5"><![endif]></span></p>
    17961790
    17971791<p class=MsoNormal style='margin-left:.25in'>And the plot will show this larger
    … …  
    18731867 <v:imagedata src="Magnetic-V_files/image011.png" o:title=""/>
    18741868</v:shape><![endif]--><![if !vml]><img border=0 width=483 height=268
    1875 src="Magnetic-V_files/image012.gif" v:shapes="Picture_x0020_6"><![endif]></span></p>
     1869src="Magnetic-V_files/image088.gif" v:shapes="Picture_x0020_6"><![endif]></span></p>
    18761870
    18771871<h3>Step 3. Structure refinement</h3>
    … …  
    18801874background. Do <b style='mso-bidi-font-weight:normal'><span style='font-family:
    18811875"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    1882 minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b> from the
    1883 main menu; a File Selection dialog will appear wanting a file name for your
     1876minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b> from
     1877the main menu; a File Selection dialog will appear wanting a file name for your
    18841878project. I used <b style='mso-bidi-font-weight:normal'><span style='font-family:
    18851879"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    … …  
    20021996 <v:imagedata src="Magnetic-V_files/image013.png" o:title=""/>
    20031997</v:shape><![endif]--><![if !vml]><img border=0 width=458 height=290
    2004 src="Magnetic-V_files/image014.gif" v:shapes="Picture_x0020_7"><![endif]></span></p>
     1998src="Magnetic-V_files/image089.gif" v:shapes="Picture_x0020_7"><![endif]></span></p>
    20051999
    20062000<p class=MsoNormal style='margin-left:.25in'><span class=GramE>and</span> the
    … …  
    20122006 <v:imagedata src="Magnetic-V_files/image015.png" o:title=""/>
    20132007</v:shape><![endif]--><![if !vml]><img border=0 width=459 height=407
    2014 src="Magnetic-V_files/image016.gif" v:shapes="Picture_x0020_12"><![endif]></span></p>
     2008src="Magnetic-V_files/image090.gif" v:shapes="Picture_x0020_12"><![endif]></span></p>
    20152009
    20162010<p class=MsoNormal style='margin-left:.25in'><span class=GramE>which</span>
    … …  
    20262020 <v:imagedata src="Magnetic-V_files/image007.png" o:title=""/>
    20272021</v:shape><![endif]--><![if !vml]><img border=0 width=454 height=252
    2028 src="Magnetic-V_files/image017.gif" v:shapes="Picture_x0020_9"><![endif]></span></p>
     2022src="Magnetic-V_files/image091.gif" v:shapes="Picture_x0020_9"><![endif]></span></p>
    20292023
    20302024<p class=MsoNormal style='margin-left:.25in'>We want to remove the partial peak
    … …  
    20852079 <v:imagedata src="Magnetic-V_files/image018.png" o:title=""/>
    20862080</v:shape><![endif]--><![if !vml]><img border=0 width=456 height=480
    2087 src="Magnetic-V_files/image019.gif" v:shapes="Picture_x0020_10"><![endif]></span></p>
     2081src="Magnetic-V_files/image092.gif" v:shapes="Picture_x0020_10"><![endif]></span></p>
    20882082
    20892083<p class=MsoNormal style='margin-left:.25in'>And the plot will show this larger
    … …  
    21492143 <v:imagedata src="Magnetic-V_files/image020.png" o:title=""/>
    21502144</v:shape><![endif]--><![if !vml]><img border=0 width=457 height=244
    2151 src="Magnetic-V_files/image021.gif" v:shapes="Picture_x0020_11"><![endif]></span></p>
     2145src="Magnetic-V_files/image093.gif" v:shapes="Picture_x0020_11"><![endif]></span></p>
    21522146
    21532147<h3>Step 3. Check powder pattern indexing</h3>
    … …  
    21732167 <v:imagedata src="Magnetic-V_files/image022.png" o:title=""/>
    21742168</v:shape><![endif]--><![if !vml]><img border=0 width=454 height=155
    2175 src="Magnetic-V_files/image023.gif" v:shapes="Picture_x0020_15"><![endif]></span><span
     2169src="Magnetic-V_files/image094.gif" v:shapes="Picture_x0020_15"><![endif]></span><span
    21762170style='mso-spacerun:yes'> </span><br>
    21772171This can be use lattice parameters &amp; space groups to generate expected
    … …  
    22012195 <v:imagedata src="Magnetic-V_files/image024.png" o:title=""/>
    22022196</v:shape><![endif]--><![if !vml]><img border=0 width=453 height=154
    2203 src="Magnetic-V_files/image025.gif" v:shapes="Picture_x0020_13"><![endif]></span><br>
     2197src="Magnetic-V_files/image095.gif" v:shapes="Picture_x0020_13"><![endif]></span><br>
    22042198showing the lattice constants for Mn<sub>3</sub>O<sub>4</sub> you had obtained
    22052199from the <span class=SpellE>gpx</span> file and the powder pattern will change
    … …  
    22152209 <v:imagedata src="Magnetic-V_files/image026.png" o:title=""/>
    22162210</v:shape><![endif]--><![if !vml]><img border=0 width=455 height=404
    2217 src="Magnetic-V_files/image027.gif" v:shapes="Picture_x0020_14"><![endif]></span><br>
     2211src="Magnetic-V_files/image096.gif" v:shapes="Picture_x0020_14"><![endif]></span><br>
    22182212Notice that some lines are not indexed; perhaps we need to double one of the
    22192213axes to generate reflections for these. Add “<b style='mso-bidi-font-weight:
    … …  
    22422236and one to remove the centering. This makes sense considering the report that
    22432237there are two low temperature phase transitions for this material. They would
    2244 be (1/2<span class=GramE>,0,0</span>) or (0,1/2,0) and (0,0,1). I’m going to
     2238be (1/2<span class=GramE>,0,0</span>) or (0,1/2,0) and (0,0,0). I’m going to
    22452239pick (0<span class=GramE>,1</span>/2,0) for the 1<sup>st</sup> one as that will
    22462240match what was originally used.</p>
    … …  
    22602254 <v:imagedata src="Magnetic-V_files/image028.png" o:title=""/>
    22612255</v:shape><![endif]--><![if !vml]><img border=0 width=277 height=301
    2262 src="Magnetic-V_files/image029.gif" v:shapes="Picture_x0020_55"><![endif]></span></p>
     2256src="Magnetic-V_files/image097.gif" v:shapes="Picture_x0020_55"><![endif]></span></p>
    22632257
    22642258<p class=MsoNormal>To set the propagation vectors, set <b style='mso-bidi-font-weight:
    22652259normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    22662260minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>ky1=1/2</span></b>
    2267 and <span class=GramE><b style='mso-bidi-font-weight:normal'><span
    2268 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    2269 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>kx2 ,</span></b></span><b
    2270 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    2271 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    2272 minor-latin'> ky2 &amp; kz2</span></b> to <b style='mso-bidi-font-weight:normal'><span
    2273 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    2274 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>0, 0, 1</span></b>
    2275 (NB: don’t leave any blank – not the same as zero; k-SUBGROUPSMAG will fail if
    2276 you do). Select <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
    2277 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    2278 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mn</span></b></span>
    2279 for the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    2280 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    2281 minor-latin'>mag atoms test</span></b> and check the last box so we see
    2282 solutions with all magnetic <span class=SpellE>Mn</span> atoms marked as
    2283 “Keep”. Press <b style='mso-bidi-font-weight:normal'><span style='font-family:
    2284 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    2285 minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>; a popup dialog will
    2286 appear reminding you how to cite the Bilbao routine in any paper you write
    2287 using this facility.</p>
     2261and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2262mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     2263minor-latin'>kx2 , ky2 &amp; kz2</span></b> to <b style='mso-bidi-font-weight:
     2264normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     2265minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>0,
     22660, 0</span></b> (NB: don’t leave any blank – not the same as zero;
     2267k-SUBGROUPSMAG will fail if you do). Select <span class=SpellE><b
     2268style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2269mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     2270minor-latin'>Mn</span></b></span> for the <b style='mso-bidi-font-weight:normal'><span
     2271style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     2272mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>mag atoms
     2273test</span></b> and check the last box so we see solutions with all magnetic <span
     2274class=SpellE>Mn</span> atoms marked as “Keep”. Press <b style='mso-bidi-font-weight:
     2275normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     2276minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>;
     2277a popup dialog will appear reminding you how to cite the Bilbao routine in any
     2278paper you write using this facility.</p>
    22882279
    22892280<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    … …  
    22922283 <v:imagedata src="Magnetic-V_files/image030.png" o:title=""/>
    22932284</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=165
    2294 src="Magnetic-V_files/image031.gif" v:shapes="Picture_x0020_16"><![endif]></span></p>
     2285src="Magnetic-V_files/image098.gif" v:shapes="Picture_x0020_16"><![endif]></span></p>
    22952286
    22962287<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
    … …  
    23252316 <v:imagedata src="Magnetic-V_files/image032.png" o:title=""/>
    23262317</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=391
    2327 src="Magnetic-V_files/image033.gif" v:shapes="Picture_x0020_17"><![endif]></span></p>
     2318src="Magnetic-V_files/image099.gif" v:shapes="Picture_x0020_17"><![endif]></span></p>
    23282319
    23292320<p class=MsoNormal>There are a lot of possible solutions; the lowest number of
    … …  
    23362327 <v:imagedata src="Magnetic-V_files/image034.png" o:title=""/>
    23372328</v:shape><![endif]--><![if !vml]><img border=0 width=251 height=168
    2338 src="Magnetic-V_files/image035.gif" v:shapes="Picture_x0020_47"><![endif]></span></p>
     2329src="Magnetic-V_files/image100.gif" v:shapes="Picture_x0020_47"><![endif]></span></p>
    23392330
    23402331<p class=MsoNormal>Set <b style='mso-bidi-font-weight:normal'><span
    … …  
    23612352 <v:imagedata src="Magnetic-V_files/image036.png" o:title=""/>
    23622353</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=390
    2363 src="Magnetic-V_files/image037.gif" v:shapes="Picture_x0020_48"><![endif]></span></p>
     2354src="Magnetic-V_files/image101.gif" v:shapes="Picture_x0020_48"><![endif]></span></p>
    23642355
    23652356<p class=MsoNormal>In fact there are only 4 left from the initial 205 possible
    … …  
    23672358style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    23682359mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    2369 minor-latin'>Try</span></b></span> on each, unfortunately there are no
    2370 reflections within our TOF frames that systematically change so we can
    2371 discriminate between them. If you then click on the number in the <span
    2372 class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
    2373 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    2374 minor-latin;mso-bidi-theme-font:minor-latin'>Uniq</span></b></span> column (<b
    2375 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    2376 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    2377 minor-latin'>4</span></b> in each case), GSAS-II will show the unique magnetic
    2378 atom positions and their magnetic moment components. For #2 (<span
    2379 class=SpellE>Pbn’a</span>’) we see</p>
     2360minor-latin'>Try</span></b></span> on each, unfortunately there are no reflections
     2361within our TOF frames that systematically change so we can discriminate between
     2362them. If you then click on the number in the <span class=SpellE><b
     2363style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2364mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     2365minor-latin'>Uniq</span></b></span> column (<b style='mso-bidi-font-weight:
     2366normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     2367minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>4</span></b>
     2368in each case), GSAS-II will show the unique magnetic atom positions and their
     2369magnetic moment components. For #2 (<span class=SpellE>Pbn’a</span>’) we see</p>
    23802370
    23812371<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    … …  
    23842374 <v:imagedata src="Magnetic-V_files/image038.png" o:title=""/>
    23852375</v:shape><![endif]--><![if !vml]><img border=0 width=354 height=186
    2386 src="Magnetic-V_files/image039.gif" v:shapes="Picture_x0020_23"><![endif]></span></p>
     2376src="Magnetic-V_files/image102.gif" v:shapes="Picture_x0020_23"><![endif]></span></p>
    23872377
    23882378<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
    … …  
    23962386 <v:imagedata src="Magnetic-V_files/image040.png" o:title=""/>
    23972387</v:shape><![endif]--><![if !vml]><img border=0 width=359 height=186
    2398 src="Magnetic-V_files/image041.gif" v:shapes="Picture_x0020_24"><![endif]></span></p>
     2388src="Magnetic-V_files/image103.gif" v:shapes="Picture_x0020_24"><![endif]></span></p>
    23992389
    24002390<p class=MsoNormal>Again press <b style='mso-bidi-font-weight:normal'><span
    … …  
    24082398 <v:imagedata src="Magnetic-V_files/image040.png" o:title=""/>
    24092399</v:shape><![endif]--><![if !vml]><img border=0 width=359 height=186
    2410 src="Magnetic-V_files/image041.gif" v:shapes="Picture_x0020_25"><![endif]></span></p>
     2400src="Magnetic-V_files/image103.gif" v:shapes="Picture_x0020_25"><![endif]></span></p>
    24112401
    24122402<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
    … …  
    24202410 <v:imagedata src="Magnetic-V_files/image042.png" o:title=""/>
    24212411</v:shape><![endif]--><![if !vml]><img border=0 width=354 height=186
    2422 src="Magnetic-V_files/image043.gif" v:shapes="Picture_x0020_26"><![endif]></span>.</p>
     2412src="Magnetic-V_files/image104.gif" v:shapes="Picture_x0020_26"><![endif]></span>.</p>
    24232413
    24242414<p class=MsoNormal>These seem to be in pairs two (#2 &amp; #8) with no <span
    … …  
    24752465 <v:imagedata src="Magnetic-V_files/image044.png" o:title=""/>
    24762466</v:shape><![endif]--><![if !vml]><img border=0 width=250 height=207
    2477 src="Magnetic-V_files/image045.gif" v:shapes="Picture_x0020_40"><![endif]></span></p>
     2467src="Magnetic-V_files/image105.gif" v:shapes="Picture_x0020_40"><![endif]></span></p>
    24782468
    24792469<p class=MsoNormal>Select the <b style='mso-bidi-font-weight:normal'><span
    … …  
    24902480 <v:imagedata src="Magnetic-V_files/image046.png" o:title=""/>
    24912481</v:shape><![endif]--><![if !vml]><img border=0 width=354 height=186
    2492 src="Magnetic-V_files/image047.gif" v:shapes="Picture_x0020_27"><![endif]></span></p>
     2482src="Magnetic-V_files/image106.gif" v:shapes="Picture_x0020_27"><![endif]></span></p>
    24932483
    24942484<p class=MsoNormal>Press <span class=GramE><b style='mso-bidi-font-weight:normal'><span
    … …  
    25052495 <v:imagedata src="Magnetic-V_files/image048.png" o:title=""/>
    25062496</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=268
    2507 src="Magnetic-V_files/image049.gif" v:shapes="Picture_x0020_28"><![endif]></span></p>
     2497src="Magnetic-V_files/image107.gif" v:shapes="Picture_x0020_28"><![endif]></span></p>
    25082498
    25092499<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
    … …  
    25252515 <v:imagedata src="Magnetic-V_files/image050.png" o:title=""/>
    25262516</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=148
    2527 src="Magnetic-V_files/image051.gif" v:shapes="Picture_x0020_29"><![endif]></span></p>
     2517src="Magnetic-V_files/image108.gif" v:shapes="Picture_x0020_29"><![endif]></span></p>
    25282518
    25292519<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
    … …  
    25842574 <v:imagedata src="Magnetic-V_files/image044.png" o:title=""/>
    25852575</v:shape><![endif]--><![if !vml]><img border=0 width=250 height=207
    2586 src="Magnetic-V_files/image045.gif" v:shapes="Picture_x0020_41"><![endif]></span></p>
     2576src="Magnetic-V_files/image105.gif" v:shapes="Picture_x0020_41"><![endif]></span></p>
    25872577
    25882578<p class=MsoNormal>We’ve done the 1<sup>st</sup> one; now pick the <b
    … …  
    25992589 <v:imagedata src="Magnetic-V_files/image052.png" o:title=""/>
    26002590</v:shape><![endif]--><![if !vml]><img border=0 width=359 height=186
    2601 src="Magnetic-V_files/image053.gif" v:shapes="Picture_x0020_42"><![endif]></span></p>
     2591src="Magnetic-V_files/image109.gif" v:shapes="Picture_x0020_42"><![endif]></span></p>
    26022592
    26032593<p class=MsoNormal>Press <span class=GramE><b style='mso-bidi-font-weight:normal'><span
    … …  
    26152605 <v:imagedata src="Magnetic-V_files/image054.png" o:title=""/>
    26162606</v:shape><![endif]--><![if !vml]><img border=0 width=489 height=276
    2617 src="Magnetic-V_files/image055.gif" v:shapes="Picture_x0020_43"><![endif]></span></p>
     2607src="Magnetic-V_files/image110.gif" v:shapes="Picture_x0020_43"><![endif]></span></p>
    26182608
    26192609<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
    … …  
    26352625 <v:imagedata src="Magnetic-V_files/image056.png" o:title=""/>
    26362626</v:shape><![endif]--><![if !vml]><img border=0 width=487 height=122
    2637 src="Magnetic-V_files/image057.gif" v:shapes="Picture_x0020_44"><![endif]></span></p>
     2627src="Magnetic-V_files/image111.gif" v:shapes="Picture_x0020_44"><![endif]></span></p>
    26382628
    26392629<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
    … …  
    26872677 <v:imagedata src="Magnetic-V_files/image044.png" o:title=""/>
    26882678</v:shape><![endif]--><![if !vml]><img border=0 width=250 height=207
    2689 src="Magnetic-V_files/image045.gif" v:shapes="Picture_x0020_46"><![endif]></span></p>
     2679src="Magnetic-V_files/image105.gif" v:shapes="Picture_x0020_46"><![endif]></span></p>
    26902680
    26912681<p class=MsoNormal>We’ve done the 1<sup>st</sup> two; now pick the <b
    … …  
    27022692 <v:imagedata src="Magnetic-V_files/image058.png" o:title=""/>
    27032693</v:shape><![endif]--><![if !vml]><img border=0 width=359 height=186
    2704 src="Magnetic-V_files/image059.gif" v:shapes="Picture_x0020_51"><![endif]></span></p>
     2694src="Magnetic-V_files/image112.gif" v:shapes="Picture_x0020_51"><![endif]></span></p>
    27052695
    27062696<p class=MsoNormal>Press <span class=GramE><b style='mso-bidi-font-weight:normal'><span
    … …  
    27182708 <v:imagedata src="Magnetic-V_files/image060.png" o:title=""/>
    27192709</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=275
    2720 src="Magnetic-V_files/image061.gif" v:shapes="Picture_x0020_52"><![endif]></span></p>
     2710src="Magnetic-V_files/image113.gif" v:shapes="Picture_x0020_52"><![endif]></span></p>
    27212711
    27222712<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
    … …  
    27382728 <v:imagedata src="Magnetic-V_files/image062.png" o:title=""/>
    27392729</v:shape><![endif]--><![if !vml]><img border=0 width=474 height=126
    2740 src="Magnetic-V_files/image063.gif" v:shapes="Picture_x0020_53"><![endif]></span></p>
     2730src="Magnetic-V_files/image114.gif" v:shapes="Picture_x0020_53"><![endif]></span></p>
    27412731
    27422732<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
    … …  
    27902780 <v:imagedata src="Magnetic-V_files/image044.png" o:title=""/>
    27912781</v:shape><![endif]--><![if !vml]><img border=0 width=250 height=207
    2792 src="Magnetic-V_files/image064.gif" v:shapes="Picture_x0020_59"><![endif]></span></p>
     2782src="Magnetic-V_files/image115.gif" v:shapes="Picture_x0020_59"><![endif]></span></p>
    27932783
    27942784<p class=MsoNormal>We’ve done the 1<sup>st</sup> three; now pick the <b
    … …  
    28052795 <v:imagedata src="Magnetic-V_files/image065.png" o:title=""/>
    28062796</v:shape><![endif]--><![if !vml]><img border=0 width=354 height=186
    2807 src="Magnetic-V_files/image066.gif" v:shapes="Picture_x0020_64"><![endif]></span></p>
     2797src="Magnetic-V_files/image116.gif" v:shapes="Picture_x0020_64"><![endif]></span></p>
    28082798
    28092799<p class=MsoNormal>Press <span class=GramE><b style='mso-bidi-font-weight:normal'><span
    … …  
    28212811 <v:imagedata src="Magnetic-V_files/image067.png" o:title=""/>
    28222812</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=271
    2823 src="Magnetic-V_files/image068.gif" v:shapes="Picture_x0020_65"><![endif]></span></p>
     2813src="Magnetic-V_files/image117.gif" v:shapes="Picture_x0020_65"><![endif]></span></p>
    28242814
    28252815<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
    … …  
    28412831 <v:imagedata src="Magnetic-V_files/image069.png" o:title=""/>
    28422832</v:shape><![endif]--><![if !vml]><img border=0 width=475 height=120
    2843 src="Magnetic-V_files/image070.gif" v:shapes="Picture_x0020_67"><![endif]></span></p>
     2833src="Magnetic-V_files/image118.gif" v:shapes="Picture_x0020_67"><![endif]></span></p>
    28442834
    28452835<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
    … …  
    28852875 <v:imagedata src="Magnetic-V_files/image071.png" o:title=""/>
    28862876</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=426
    2887 src="Magnetic-V_files/image072.gif" v:shapes="Picture_x0020_68"><![endif]></span></p>
     2877src="Magnetic-V_files/image119.gif" v:shapes="Picture_x0020_68"><![endif]></span></p>
    28882878
    28892879<p class=MsoNormal>The principal problem seems to be peak positions; the
    … …  
    28952885 <v:imagedata src="Magnetic-V_files/image073.png" o:title=""/>
    28962886</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=126
    2897 src="Magnetic-V_files/image074.gif" v:shapes="Picture_x0020_69"><![endif]></span></p>
     2887src="Magnetic-V_files/image120.gif" v:shapes="Picture_x0020_69"><![endif]></span></p>
    28982888
    28992889<p class=MsoNormal>Looking at the magnetic moment components, it appears that <span
    … …  
    29182908 <v:imagedata src="Magnetic-V_files/image075.png" o:title=""/>
    29192909</v:shape><![endif]--><![if !vml]><img border=0 width=672 height=337
    2920 src="Magnetic-V_files/image076.gif" v:shapes="Picture_x0020_70"><![endif]></span></p>
     2910src="Magnetic-V_files/image121.gif" v:shapes="Picture_x0020_70"><![endif]></span></p>
    29212911
    29222912<p class=MsoNormal>Use <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
    … …  
    29312921 <v:imagedata src="Magnetic-V_files/image077.png" o:title=""/>
    29322922</v:shape><![endif]--><![if !vml]><img border=0 width=587 height=635
    2933 src="Magnetic-V_files/image078.gif" v:shapes="Picture_x0020_49"><![endif]></span></p>
     2923src="Magnetic-V_files/image122.gif" v:shapes="Picture_x0020_49"><![endif]></span></p>
    29342924
    29352925<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
    … …  
    29742964 <v:imagedata src="Magnetic-V_files/image079.png" o:title=""/>
    29752965</v:shape><![endif]--><![if !vml]><img border=0 width=594 height=447
    2976 src="Magnetic-V_files/image080.gif" v:shapes="Picture_x0020_72"><![endif]></span><br>
     2966src="Magnetic-V_files/image123.gif" v:shapes="Picture_x0020_72"><![endif]></span><br>
    29772967<span class=GramE>and</span> set the refine boxes for <b style='mso-bidi-font-weight:
    29782968normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    … …  
    30143004 <v:imagedata src="Magnetic-V_files/image081.png" o:title=""/>
    30153005</v:shape><![endif]--><![if !vml]><img border=0 width=482 height=428
    3016 src="Magnetic-V_files/image082.gif" v:shapes="Picture_x0020_73"><![endif]></span></p>
     3006src="Magnetic-V_files/image124.gif" v:shapes="Picture_x0020_73"><![endif]></span></p>
    30173007
    30183008<p class=MsoNormal>I’ve colored the tetrahedral <span class=SpellE>Mn</span>

  • Tutorials/Magnetic-V/Magnetic-V_files/filelist.xml

    r3987 r4029  
    66 <o:File HRef="colorschememapping.xml"/>
    77 <o:File HRef="image001.png"/>
    8  <o:File HRef="image002.gif"/>
     8 <o:File HRef="image083.gif"/>
    99 <o:File HRef="image003.png"/>
    10  <o:File HRef="image004.gif"/>
     10 <o:File HRef="image084.gif"/>
    1111 <o:File HRef="image005.png"/>
    12  <o:File HRef="image006.gif"/>
     12 <o:File HRef="image085.gif"/>
    1313 <o:File HRef="image007.png"/>
    14  <o:File HRef="image008.gif"/>
     14 <o:File HRef="image086.gif"/>
    1515 <o:File HRef="image009.png"/>
    16  <o:File HRef="image010.gif"/>
     16 <o:File HRef="image087.gif"/>
    1717 <o:File HRef="image011.png"/>
    18  <o:File HRef="image012.gif"/>
     18 <o:File HRef="image088.gif"/>
    1919 <o:File HRef="image013.png"/>
    20  <o:File HRef="image014.gif"/>
     20 <o:File HRef="image089.gif"/>
    2121 <o:File HRef="image015.png"/>
    22  <o:File HRef="image016.gif"/>
    23  <o:File HRef="image017.gif"/>
     22 <o:File HRef="image090.gif"/>
     23 <o:File HRef="image091.gif"/>
    2424 <o:File HRef="image018.png"/>
    25  <o:File HRef="image019.gif"/>
     25 <o:File HRef="image092.gif"/>
    2626 <o:File HRef="image020.png"/>
    27  <o:File HRef="image021.gif"/>
     27 <o:File HRef="image093.gif"/>
    2828 <o:File HRef="image022.png"/>
    29  <o:File HRef="image023.gif"/>
     29 <o:File HRef="image094.gif"/>
    3030 <o:File HRef="image024.png"/>
    31  <o:File HRef="image025.gif"/>
     31 <o:File HRef="image095.gif"/>
    3232 <o:File HRef="image026.png"/>
    33  <o:File HRef="image027.gif"/>
     33 <o:File HRef="image096.gif"/>
    3434 <o:File HRef="image028.png"/>
    35  <o:File HRef="image029.gif"/>
     35 <o:File HRef="image097.gif"/>
    3636 <o:File HRef="image030.png"/>
    37  <o:File HRef="image031.gif"/>
     37 <o:File HRef="image098.gif"/>
    3838 <o:File HRef="image032.png"/>
    39  <o:File HRef="image033.gif"/>
     39 <o:File HRef="image099.gif"/>
    4040 <o:File HRef="image034.png"/>
    41  <o:File HRef="image035.gif"/>
     41 <o:File HRef="image100.gif"/>
    4242 <o:File HRef="image036.png"/>
    43  <o:File HRef="image037.gif"/>
     43 <o:File HRef="image101.gif"/>
    4444 <o:File HRef="image038.png"/>
    45  <o:File HRef="image039.gif"/>
     45 <o:File HRef="image102.gif"/>
    4646 <o:File HRef="image040.png"/>
    47  <o:File HRef="image041.gif"/>
     47 <o:File HRef="image103.gif"/>
    4848 <o:File HRef="image042.png"/>
    49  <o:File HRef="image043.gif"/>
     49 <o:File HRef="image104.gif"/>
    5050 <o:File HRef="image044.png"/>
    51  <o:File HRef="image045.gif"/>
     51 <o:File HRef="image105.gif"/>
    5252 <o:File HRef="image046.png"/>
    53  <o:File HRef="image047.gif"/>
     53 <o:File HRef="image106.gif"/>
    5454 <o:File HRef="image048.png"/>
    55  <o:File HRef="image049.gif"/>
     55 <o:File HRef="image107.gif"/>
    5656 <o:File HRef="image050.png"/>
    57  <o:File HRef="image051.gif"/>
     57 <o:File HRef="image108.gif"/>
    5858 <o:File HRef="image052.png"/>
    59  <o:File HRef="image053.gif"/>
     59 <o:File HRef="image109.gif"/>
    6060 <o:File HRef="image054.png"/>
    61  <o:File HRef="image055.gif"/>
     61 <o:File HRef="image110.gif"/>
    6262 <o:File HRef="image056.png"/>
    63  <o:File HRef="image057.gif"/>
     63 <o:File HRef="image111.gif"/>
    6464 <o:File HRef="image058.png"/>
    65  <o:File HRef="image059.gif"/>
     65 <o:File HRef="image112.gif"/>
    6666 <o:File HRef="image060.png"/>
    67  <o:File HRef="image061.gif"/>
     67 <o:File HRef="image113.gif"/>
    6868 <o:File HRef="image062.png"/>
    69  <o:File HRef="image063.gif"/>
    70  <o:File HRef="image064.gif"/>
     69 <o:File HRef="image114.gif"/>
     70 <o:File HRef="image115.gif"/>
    7171 <o:File HRef="image065.png"/>
    72  <o:File HRef="image066.gif"/>
     72 <o:File HRef="image116.gif"/>
    7373 <o:File HRef="image067.png"/>
    74  <o:File HRef="image068.gif"/>
     74 <o:File HRef="image117.gif"/>
    7575 <o:File HRef="image069.png"/>
    76  <o:File HRef="image070.gif"/>
     76 <o:File HRef="image118.gif"/>
    7777 <o:File HRef="image071.png"/>
    78  <o:File HRef="image072.gif"/>
     78 <o:File HRef="image119.gif"/>
    7979 <o:File HRef="image073.png"/>
    80  <o:File HRef="image074.gif"/>
     80 <o:File HRef="image120.gif"/>
    8181 <o:File HRef="image075.png"/>
    82  <o:File HRef="image076.gif"/>
     82 <o:File HRef="image121.gif"/>
    8383 <o:File HRef="image077.png"/>
    84  <o:File HRef="image078.gif"/>
     84 <o:File HRef="image122.gif"/>
    8585 <o:File HRef="image079.png"/>
    86  <o:File HRef="image080.gif"/>
     86 <o:File HRef="image123.gif"/>
    8787 <o:File HRef="image081.png"/>
    88  <o:File HRef="image082.gif"/>
     88 <o:File HRef="image124.gif"/>
    8989 <o:File HRef="filelist.xml"/>
    9090</xml>

  • Tutorials/Magnetic-V/Magnetic-V_files/props089.xml

    r3987 r4029  
    11<?xml version="1.0" encoding="UTF-8" standalone="no"?>
    2 <ds:datastoreItem ds:itemID="{49638067-DF64-4F83-B8BA-B46B8CDFD82B}" xmlns:ds="http://schemas.openxmlformats.org/officeDocument/2006/customXml"><ds:schemaRefs><ds:schemaRef ds:uri="http://schemas.openxmlformats.org/officeDocument/2006/bibliography"/></ds:schemaRefs></ds:datastoreItem>
     2<ds:datastoreItem ds:itemID="{E80CE38B-D942-42A1-B9D5-F08658A41F19}" xmlns:ds="http://schemas.openxmlformats.org/officeDocument/2006/customXml"><ds:schemaRefs><ds:schemaRef ds:uri="http://schemas.openxmlformats.org/officeDocument/2006/bibliography"/></ds:schemaRefs></ds:datastoreItem>
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