Changeset 3700 for Tutorials

Timestamp:

Oct 23, 2018 8:57:35 AM (5 years ago)

Author:

vondreele

Message:

update tutorial

Location:

Tutorials/Magnetic-III

Files:

• Magnetic-III.htm (modified) (34 diffs)
• Magnetic-III_files/filelist.xml (modified) (1 diff)
• Magnetic-III_files/image028.gif (added)
• Magnetic-III_files/image030.png (added)
• Magnetic-III_files/image057.gif (modified) (previous)
• Magnetic-III_files/image058.gif (modified) (previous)
• Magnetic-III_files/image059.gif (modified) (previous)
• Magnetic-III_files/image060.gif (modified) (previous)
• Magnetic-III_files/image061.gif (modified) (previous)
• Magnetic-III_files/image062.gif (modified) (previous)
• Magnetic-III_files/image063.gif (modified) (previous)
• Magnetic-III_files/image064.gif (modified) (previous)
• Magnetic-III_files/image065.gif (modified) (previous)
• Magnetic-III_files/image067.gif (modified) (previous)
• Magnetic-III_files/image068.gif (modified) (previous)
• Magnetic-III_files/image069.gif (modified) (previous)
• Magnetic-III_files/image070.gif (modified) (previous)
• Magnetic-III_files/image071.gif (modified) (previous)
• Magnetic-III_files/image072.gif (modified) (previous)
• Magnetic-III_files/image073.gif (modified) (previous)
• Magnetic-III_files/image074.gif (modified) (previous)
• Magnetic-III_files/image075.gif (modified) (previous)
• Magnetic-III_files/image076.gif (modified) (previous)
• Magnetic-III_files/image077.gif (modified) (previous)
• Magnetic-III_files/image078.gif (modified) (previous)
• Magnetic-III_files/image079.gif (modified) (previous)
• Magnetic-III_files/image080.gif (modified) (previous)
• data/Ba6Co6 - Copy.gpx (added)

Tutorials/Magnetic-III/Magnetic-III.htm

@@ -23 +23 @@
   <o:Author>Von Dreele</o:Author>
   <o:LastAuthor>vondreele</o:LastAuthor>
-  <o:Revision>20</o:Revision>
-  <o:TotalTime>589</o:TotalTime>
+  <o:Revision>22</o:Revision>
+  <o:TotalTime>763</o:TotalTime>
   <o:Created>2012-05-05T14:50:00Z</o:Created>
-  <o:LastSaved>2018-10-03T19:22:00Z</o:LastSaved>
+  <o:LastSaved>2018-10-23T13:56:00Z</o:LastSaved>
   <o:Pages>1</o:Pages>
-  <o:Words>2187</o:Words>
-  <o:Characters>12468</o:Characters>
-  <o:Lines>103</o:Lines>
-  <o:Paragraphs>29</o:Paragraphs>
-  <o:CharactersWithSpaces>14626</o:CharactersWithSpaces>
+  <o:Words>2118</o:Words>
+  <o:Characters>12074</o:Characters>
+  <o:Lines>100</o:Lines>
+  <o:Paragraphs>28</o:Paragraphs>
+  <o:CharactersWithSpaces>14164</o:CharactersWithSpaces>
   <o:Version>16.00</o:Version>
  </o:DocumentProperties>
@@ -40 +40 @@
 <!--[if gte mso 9]><xml>
  <w:WordDocument>
-  <w:Zoom>108</w:Zoom>
   <w:SpellingState>Clean</w:SpellingState>
   <w:GrammarState>Clean</w:GrammarState>
@@ -1293 +1292 @@
 vector. If you have not done so already, you may wish to do the Simple Magnetic
 Structures tutorial first as it contains some background information that will
-not be covered here. It is also helpful to do parts I and II of the series of
-Magnetic Structures tutorials. To make this work, your computer must have an
-internet connection for GSAS-II to access this site. (We will supply the
-project file that results after k-SUBGROUPSMAG is called in case you lack
-internet access).</p>
+not be covered here. It is also helpful to do parts I and II of the series of Magnetic
+Structures tutorials. To make this work, your computer must have an internet
+connection for GSAS-II to access this site. (We will supply the project file
+that results after k-SUBGROUPSMAG is called in case you lack internet access).</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
@@ -1319 +1317 @@
  <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
  <o:lock v:ext="edit" aspectratio="t"/>
-</v:shapetype><v:shape id="Picture_x0020_4" o:spid="_x0000_i1055" type="#_x0000_t75"
+</v:shapetype><v:shape id="Picture_x0020_4" o:spid="_x0000_i1052" type="#_x0000_t75"
  style='width:359.25pt;height:369pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Magnetic-III_files/image001.png" o:title=""/>
@@ -1427 +1425 @@
 
 <p class=MsoListParagraphCxSpLast><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_5" o:spid="_x0000_i1054" type="#_x0000_t75" style='width:324pt;
+ id="Picture_x0020_5" o:spid="_x0000_i1051" type="#_x0000_t75" style='width:324pt;
  height:199.5pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Magnetic-III_files/image003.png" o:title=""/>
@@ -1437 +1435 @@
 
 <p class=MsoNormal style='margin-left:.5in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_6" o:spid="_x0000_i1053" type="#_x0000_t75" style='width:324.75pt;
+ id="Picture_x0020_6" o:spid="_x0000_i1050" type="#_x0000_t75" style='width:324.75pt;
  height:335.25pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Magnetic-III_files/image005.png" o:title=""/>
@@ -1497 +1495 @@
 The General tab for the phase is shown next<br>
 <span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_7"
- o:spid="_x0000_i1052" type="#_x0000_t75" style='width:322.5pt;height:176.25pt;
+ o:spid="_x0000_i1049" type="#_x0000_t75" style='width:322.5pt;height:176.25pt;
  visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Magnetic-III_files/image007.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=430 height=235
-src="Magnetic-III_files/image057.gif" v:shapes="Picture_x0020_7"><![endif]></span></p>
+src="Magnetic-III_files/image028.gif" v:shapes="Picture_x0020_7"><![endif]></span></p>
 
 <h3>Step 3. Check powder pattern indexing</h3>
@@ -1513 +1511 @@
 histogram (begins with PWDR); the Indexing controls will be shown<br>
 <span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_8"
- o:spid="_x0000_i1051" type="#_x0000_t75" style='width:359.25pt;height:121.5pt;
+ o:spid="_x0000_i1048" type="#_x0000_t75" style='width:359.25pt;height:121.5pt;
  visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Magnetic-III_files/image009.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=479 height=162
-src="Magnetic-III_files/image058.gif" v:shapes="Picture_x0020_8"><![endif]></span></p>
+src="Magnetic-III_files/image057.gif" v:shapes="Picture_x0020_8"><![endif]></span></p>
 
 <p class=MsoNormal>This can use lattice parameters &amp; space groups to
@@ -1540 +1538 @@
 and the Indexing controls will be change<br>
 <span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_9"
- o:spid="_x0000_i1050" type="#_x0000_t75" style='width:357.75pt;height:114pt;
+ o:spid="_x0000_i1047" type="#_x0000_t75" style='width:357.75pt;height:114pt;
  visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Magnetic-III_files/image011.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=477 height=152
-src="Magnetic-III_files/image059.gif" v:shapes="Picture_x0020_9"><![endif]></span></p>
+src="Magnetic-III_files/image058.gif" v:shapes="Picture_x0020_9"><![endif]></span></p>
 
 <p class=MsoNormal><span class=GramE>showing</span> the lattice constants for
@@ -1567 +1565 @@
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin;mso-no-proof:
-yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_10" o:spid="_x0000_i1049"
+yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_10" o:spid="_x0000_i1046"
  type="#_x0000_t75" style='width:354.75pt;height:366pt;visibility:visible;
  mso-wrap-style:square'>
  <v:imagedata src="Magnetic-III_files/image013.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=473 height=488
-src="Magnetic-III_files/image060.gif" v:shapes="Picture_x0020_10"><![endif]></span></b></p>
+src="Magnetic-III_files/image059.gif" v:shapes="Picture_x0020_10"><![endif]></span></b></p>
 
 <p class=MsoNormal>I’ve expanded &amp; shifted the plot slightly to see that a
@@ -1603 +1601 @@
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_11" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:357pt;
+ id="Picture_x0020_11" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:357pt;
  height:114pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Magnetic-III_files/image015.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=476 height=152
-src="Magnetic-III_files/image061.gif" v:shapes="Picture_x0020_11"><![endif]></span></p>
+src="Magnetic-III_files/image060.gif" v:shapes="Picture_x0020_11"><![endif]></span></p>
 
 <p class=MsoNormal>Notice that the a-axis (11.2974) is now twice the original
@@ -1613 +1611 @@
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_12" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:356.25pt;
+ id="Picture_x0020_12" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:356.25pt;
  height:366.75pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Magnetic-III_files/image017.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=475 height=489
-src="Magnetic-III_files/image062.gif" v:shapes="Picture_x0020_12"><![endif]></span></p>
+src="Magnetic-III_files/image061.gif" v:shapes="Picture_x0020_12"><![endif]></span></p>
 
 <p class=MsoNormal>Clearly that did not index all the observed peaks, so we
@@ -1630 +1628 @@
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_13" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:5in;
+ id="Picture_x0020_13" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:5in;
  height:369.75pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Magnetic-III_files/image019.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=480 height=493
-src="Magnetic-III_files/image063.gif" v:shapes="Picture_x0020_13"><![endif]></span></p>
+src="Magnetic-III_files/image062.gif" v:shapes="Picture_x0020_13"><![endif]></span></p>
 
 <p class=MsoNormal>In this case every powder peak is indexed so a doubling of
@@ -1661 +1659 @@
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_32" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:182.25pt;
- height:299.25pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Magnetic-III_files/image028.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=243 height=399
-src="Magnetic-III_files/image064.gif" v:shapes="Picture_x0020_32"><![endif]></span></p>
+ id="Picture_x0020_32" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:207.75pt;
+ height:225.75pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Magnetic-III_files/image030.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=277 height=301
+src="Magnetic-III_files/image063.gif" v:shapes="Picture_x0020_32"><![endif]></span></p>
 
 <p class=MsoNormal>These are the controls for running the Bilbao routine. The
@@ -1702 +1700 @@
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_15" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:357.75pt;
- height:123.75pt;visibility:visible;mso-wrap-style:square'>
+ id="_x0000_i1041" type="#_x0000_t75" style='width:357.75pt;height:123.75pt;
+ visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Magnetic-III_files/image023.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=477 height=165
-src="Magnetic-III_files/image065.gif" v:shapes="Picture_x0020_15"><![endif]></span></p>
+src="Magnetic-III_files/image064.gif" v:shapes="_x0000_i1041"><![endif]></span></p>
 
 <p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
@@ -1737 +1735 @@
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_33" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:360.75pt;
+ id="Picture_x0020_33" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:360.75pt;
  height:293.25pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Magnetic-III_files/image066.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=481 height=391
-src="Magnetic-III_files/image067.gif" v:shapes="Picture_x0020_33"><![endif]></span></p>
+src="Magnetic-III_files/image065.gif" v:shapes="Picture_x0020_33"><![endif]></span></p>
 
 <p class=MsoNormal>Notice that the number of unique magnetic atoms is either 3
@@ -1753 +1751 @@
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_17" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:304.5pt;
+ id="Picture_x0020_14" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:304.5pt;
  height:330pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Magnetic-III_files/image027.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=406 height=440
-src="Magnetic-III_files/image068.gif" v:shapes="Picture_x0020_17"><![endif]></span></p>
+src="Magnetic-III_files/image067.gif" v:shapes="Picture_x0020_14"><![endif]></span></p>
 
 <p class=MsoNormal>These are the magnetic symmetry operations for P<sub>c</sub>
@@ -1781 +1779 @@
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_18" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:359.25pt;
+ id="Picture_x0020_15" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:359.25pt;
  height:184.5pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Magnetic-III_files/image029.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=479 height=246
-src="Magnetic-III_files/image069.gif" v:shapes="Picture_x0020_18"><![endif]></span></p>
+src="Magnetic-III_files/image068.gif" v:shapes="Picture_x0020_15"><![endif]></span></p>
 
 <p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
-magnetic phase</span></b>; that will make a small popup dialog</p>
+magnetic/subgroup phase</span></b>; that will make a small popup dialog</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_19" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:222.75pt;
+ id="Picture_x0020_16" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:222.75pt;
  height:222.75pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Magnetic-III_files/image031.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=297 height=297
-src="Magnetic-III_files/image070.gif" v:shapes="Picture_x0020_19"><![endif]></span></p>
+src="Magnetic-III_files/image069.gif" v:shapes="Picture_x0020_16"><![endif]></span></p>
 
 <p class=MsoNormal>This shows all magnetic phases that were marked Keep in the
@@ -1808 +1806 @@
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="_x0000_i1039" type="#_x0000_t75" style='width:283.5pt;height:123.75pt;
- visibility:visible;mso-wrap-style:square'>
+ id="Picture_x0020_17" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:283.5pt;
+ height:123.75pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Magnetic-III_files/image033.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=378 height=165
-src="Magnetic-III_files/image071.gif" v:shapes="_x0000_i1039"><![endif]></span></p>
+src="Magnetic-III_files/image070.gif" v:shapes="Picture_x0020_17"><![endif]></span></p>
 
 <p class=MsoNormal>Since the chemical phase had three Co atoms, having three
@@ -1843 +1841 @@
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="_x0000_i1038" type="#_x0000_t75" style='width:468.75pt;height:247.5pt;
- visibility:visible;mso-wrap-style:square'>
+ id="Picture_x0020_18" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:468.75pt;
+ height:247.5pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Magnetic-III_files/image037.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=625 height=330
-src="Magnetic-III_files/image072.gif" v:shapes="_x0000_i1038"><![endif]></span></p>
+src="Magnetic-III_files/image071.gif" v:shapes="Picture_x0020_18"><![endif]></span></p>
 
 <p class=MsoNormal>Select Atoms, enter <b style='mso-bidi-font-weight:normal'><span
@@ -1862 +1860 @@
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="_x0000_i1037" type="#_x0000_t75" style='width:340.5pt;height:9in;
- visibility:visible;mso-wrap-style:square'>
+ id="Picture_x0020_19" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:340.5pt;
+ height:9in;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Magnetic-III_files/image039.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=454 height=864
-src="Magnetic-III_files/image073.gif" v:shapes="_x0000_i1037"><![endif]></span></p>
+src="Magnetic-III_files/image072.gif" v:shapes="Picture_x0020_19"><![endif]></span></p>
 
 <p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine
-</span></b>for the initial refinement. An error popup will show</p>
-
-<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_20" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:363.75pt;
- height:123pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Magnetic-III_files/image041.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=485 height=164
-src="Magnetic-III_files/image074.gif" v:shapes="Picture_x0020_20"><![endif]></span></p>
-
-<p class=MsoNormal>This is similar to what happened in the previous tutorial
-(and is a bug). Press <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
-&amp; go to the Constraints entry; we’ll see this same message again. Press <b
+</span></b>for the initial refinement. The <span class=SpellE>wR</span> ~18%
+with some intensity for all the peaks in the pattern, but the magnetic moments
+are probably wrong. Go to the magnetic phase Atoms tab and select refine <b
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
-minor-latin'>OK</span></b> and the constraints will show</p>
-
-<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_21" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:361.5pt;
- height:269.25pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Magnetic-III_files/image043.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=482 height=359
-src="Magnetic-III_files/image075.gif" v:shapes="Picture_x0020_21"><![endif]></span></p>
-
-<p class=MsoNormal>The actual conflict is the 2<sup>nd</sup> from last one “<b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
-minor-latin'>EQUIV 1::A0 = 1.000*0::A0</span></b>” which is a duplicate of the
-one above it. <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin;mso-bidi-theme-font:minor-latin'>Delete</span></b> it; the error is
-cleared</p>
-
-<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_22" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:359.25pt;
- height:267pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Magnetic-III_files/image045.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=356
-src="Magnetic-III_files/image076.gif" v:shapes="Picture_x0020_22"><![endif]></span></p>
-
-<p class=MsoNormal>Now try <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
-again. The <span class=SpellE>wR</span> ~18% with some intensity for all the
-peaks in the pattern, but the magnetic moments are probably wrong. Go to the
-magnetic phase Atoms tab and select refine <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b>
-for all three Co atoms. Do <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
+minor-latin'>M</span></b> for all three Co atoms. Do <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
 again; the residual drops a bit but now the errors seem to be mostly peak
 position. Go to the General tab for both phases and check the <b
@@ -1937 +1891 @@
 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
-again; <span class=SpellE>wR</span> ~ 15% now. To finish the refinement,
+again; <span class=SpellE>wR</span> ~ 13.6% now. To finish the refinement,
 include Instrument parameters <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
@@ -1953 +1907 @@
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
-my residual was <span class=SpellE>wR</span>=7.49% and the magnetic atoms
+my residual was <span class=SpellE>wR</span>=7.67% and the magnetic atoms
 showed most of the moment on Co2_1 (<span class=SpellE>Mz</span> = 3.2) with
 the other two much smaller. </p>
@@ -1962 +1916 @@
  <v:imagedata src="Magnetic-III_files/image047.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=475 height=799
-src="Magnetic-III_files/image077.gif" v:shapes="Picture_x0020_23"><![endif]></span></p>
+src="Magnetic-III_files/image073.gif" v:shapes="Picture_x0020_23"><![endif]></span></p>
 
 <p class=MsoNormal>The fit to the powder pattern looks quite good</p>
@@ -1971 +1925 @@
  <v:imagedata src="Magnetic-III_files/image049.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=480 height=377
-src="Magnetic-III_files/image078.gif" v:shapes="Picture_x0020_24"><![endif]></span></p>
+src="Magnetic-III_files/image074.gif" v:shapes="Picture_x0020_24"><![endif]></span></p>
 
 <p class=MsoNormal>But we should try the other solution to see if it is better.
@@ -1999 +1953 @@
  <v:imagedata src="Magnetic-III_files/image051.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=479 height=247
-src="Magnetic-III_files/image079.gif" v:shapes="Picture_x0020_25"><![endif]></span></p>
+src="Magnetic-III_files/image075.gif" v:shapes="Picture_x0020_25"><![endif]></span></p>
 
 <p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
@@ -2011 +1965 @@
  <v:imagedata src="Magnetic-III_files/image031.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=297 height=297
-src="Magnetic-III_files/image070.gif" v:shapes="Picture_x0020_26"><![endif]></span></p>
+src="Magnetic-III_files/image069.gif" v:shapes="Picture_x0020_26"><![endif]></span></p>
 
 <p class=MsoNormal>We already tried the 1<sup>st</sup> one; now select the 2<sup>nd</sup>
@@ -2021 +1975 @@
  <v:imagedata src="Magnetic-III_files/image053.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=378 height=165
-src="Magnetic-III_files/image080.gif" v:shapes="Picture_x0020_27"><![endif]></span></p>
+src="Magnetic-III_files/image076.gif" v:shapes="Picture_x0020_27"><![endif]></span></p>
 
 <p class=MsoNormal>It looks very similar to what we had before; close
@@ -2030 +1984 @@
 new project <b style='mso-bidi-font-weight:normal'><span style='font-family:
 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6 mag_2.gpx</span></b> will be
-created. The General tab for this new phase will be shown</p>
+minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6 mag_2.gpx</span></b> will
+be created. The General tab for this new phase will be shown</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -2038 +1992 @@
  <v:imagedata src="Magnetic-III_files/image055.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=484 height=249
-src="Magnetic-III_files/image081.gif" v:shapes="Picture_x0020_28"><![endif]></span></p>
+src="Magnetic-III_files/image077.gif" v:shapes="Picture_x0020_28"><![endif]></span></p>
 
 <p class=MsoNormal>Select the Atoms tab &amp; set <span class=SpellE>Mz</span>
@@ -2044 +1998 @@
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1.0</span></b>.
-Then do the refinement steps we outlined for the 1<sup>st</sup> magnetic structure.
-Do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
-minor-latin'>Calculate/Refine</span></b> first – you’ll again have to correct
-he constraints by deleting the duplicate one. Then set the <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b>
-refine flags for the magnetic atoms; do <b style='mso-bidi-font-weight:normal'><span
+Then do the refinement steps we outlined for the 1<sup>st</sup> magnetic
+structure. Do <b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b> first.
+Then set the <b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b> refine flags for the
+magnetic atoms; do <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>.
@@ -2070 +2024 @@
 Finally use <b style='mso-bidi-font-weight:normal'><span style='font-family:
 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin;mso-bidi-theme-font:minor-latin'>6</span></b> background
-coefficients and refine <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>XU</span></b>
-for the chemical phase atoms and <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>XUM</span></b>
-for the magnetic atoms. Do <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
-a few times until it converges. I got <span class=SpellE>wR</span> = 7.46%
-which is only slightly better than the result for the first model. In this case
-the tetrahedral Co atom carries the large magnetic moment while the octahedral
-ones have nearly zero moment. This is probably the better model because it is
-similar to the magnetic structures found for related materials. We can see if
-the moment is fully on the tetrahedral Co; set <span class=SpellE><b
+minor-latin;mso-bidi-theme-font:minor-latin'>6</span></b> background coefficients
+and refine <b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin;mso-bidi-theme-font:minor-latin'>XU</span></b> for the chemical
+phase atoms and <b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin;mso-bidi-theme-font:minor-latin'>XUM</span></b> for the magnetic
+atoms. Do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>Calculate/Refine</span></b> a few times until it converges. I got <span
+class=SpellE>wR</span> = 7.47% which is only slightly better than the result
+for the first model. In this case the tetrahedral Co atom carries the large
+magnetic moment while the octahedral ones have nearly zero moment. This is
+probably the better model because it is similar to the magnetic structures
+found for related materials. We can see if the moment is fully on the
+tetrahedral Co; set <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mz</span></b></span><b
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
-minor-latin'>Mz</span></b></span><b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>=0</span></b>
-for the other two and set their refinement flags to just <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>XU</span></b>.
-Do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
-minor-latin'>Calculate/Refine</span></b>. My final <span class=SpellE>wR</span>=7.462%
-shows that probably all the magnetic moment is on the tetrahedral Co atoms. The
-Atoms list </p>
+minor-latin'>=0</span></b> for the other two and set their refinement flags to
+just <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>XU</span></b>. Do <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>.
+My final <span class=SpellE>wR</span>=7.476% shows that probably all the
+magnetic moment is on the tetrahedral Co atoms. The Atoms list </p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -2105 +2058 @@
  <v:imagedata src="Magnetic-III_files/image084.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=482 height=110
-src="Magnetic-III_files/image082.gif" v:shapes="Picture_x0020_29"><![endif]></span></p>
-
-<p class=MsoNormal><span class=GramE>gives</span> <span class=SpellE>Mz</span>=3.296(35);
+src="Magnetic-III_files/image078.gif" v:shapes="Picture_x0020_29"><![endif]></span></p>
+
+<p class=MsoNormal><span class=GramE>gives</span> <span class=SpellE>Mz</span>=3.347(43);
 the <span class=SpellE>esd</span> is from <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
@@ -2118 +2071 @@
  <v:imagedata src="Magnetic-III_files/image086.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=237 height=480
-src="Magnetic-III_files/image083.gif" v:shapes="Picture_x0020_30"><![endif]><!--[if gte vml 1]><v:shape
+src="Magnetic-III_files/image079.gif" v:shapes="Picture_x0020_30"><![endif]><!--[if gte vml 1]><v:shape
  id="Picture_x0020_31" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:187.5pt;
  height:358.5pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Magnetic-III_files/image088.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=250 height=478
-src="Magnetic-III_files/image085.gif" v:shapes="Picture_x0020_31"><![endif]></span></p>
+src="Magnetic-III_files/image080.gif" v:shapes="Picture_x0020_31"><![endif]></span></p>
 
 <p class=MsoNormal>I’ve placed the doubled c-axis chemical structure so you can
 see the relationship between them.</p>
 
-<p class=MsoNormal>If I impose a similar constraint for the 1<sup>st</sup> model,
-the final <span class=SpellE>wR</span>=7.524% is slightly higher than for the 2<sup>nd</sup>
-model. This concludes this tutorial; you probably want to <span class=GramE><b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
-minor-latin'>Save</span></b></span> both projects before closing GSAS-II.</p>
+<p class=MsoNormal>If I impose a similar constraint for the 1<sup>st</sup>
+model, the final <span class=SpellE>wR</span>=7.524% is slightly higher than
+for the 2<sup>nd</sup> model. This concludes this tutorial; you probably want
+to <span class=GramE><b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save</span></b></span>
+both projects before closing GSAS-II.</p>
 
 </div>

Tutorials/Magnetic-III/Magnetic-III_files/filelist.xml

@@ -12 +12 @@
  <o:File HRef="image025.gif"/>
  <o:File HRef="image007.png"/>
+ <o:File HRef="image028.gif"/>
+ <o:File HRef="image009.png"/>
  <o:File HRef="image057.gif"/>
- <o:File HRef="image009.png"/>
+ <o:File HRef="image011.png"/>
  <o:File HRef="image058.gif"/>
- <o:File HRef="image011.png"/>
+ <o:File HRef="image013.png"/>
  <o:File HRef="image059.gif"/>
- <o:File HRef="image013.png"/>
+ <o:File HRef="image015.png"/>
  <o:File HRef="image060.gif"/>
- <o:File HRef="image015.png"/>
+ <o:File HRef="image017.png"/>
  <o:File HRef="image061.gif"/>
- <o:File HRef="image017.png"/>
+ <o:File HRef="image019.png"/>
  <o:File HRef="image062.gif"/>
- <o:File HRef="image019.png"/>
+ <o:File HRef="image030.png"/>
  <o:File HRef="image063.gif"/>
- <o:File HRef="image028.png"/>
+ <o:File HRef="image023.png"/>
  <o:File HRef="image064.gif"/>
- <o:File HRef="image023.png"/>
+ <o:File HRef="image066.png"/>
  <o:File HRef="image065.gif"/>
- <o:File HRef="image066.png"/>
+ <o:File HRef="image027.png"/>
  <o:File HRef="image067.gif"/>
- <o:File HRef="image027.png"/>
+ <o:File HRef="image029.png"/>
  <o:File HRef="image068.gif"/>
- <o:File HRef="image029.png"/>
+ <o:File HRef="image031.png"/>
  <o:File HRef="image069.gif"/>
- <o:File HRef="image031.png"/>
+ <o:File HRef="image033.png"/>
  <o:File HRef="image070.gif"/>
- <o:File HRef="image033.png"/>
+ <o:File HRef="image037.png"/>
  <o:File HRef="image071.gif"/>
- <o:File HRef="image037.png"/>
+ <o:File HRef="image039.png"/>
  <o:File HRef="image072.gif"/>
- <o:File HRef="image039.png"/>
+ <o:File HRef="image047.png"/>
  <o:File HRef="image073.gif"/>
- <o:File HRef="image041.png"/>
+ <o:File HRef="image049.png"/>
  <o:File HRef="image074.gif"/>
- <o:File HRef="image043.png"/>
+ <o:File HRef="image051.png"/>
  <o:File HRef="image075.gif"/>
- <o:File HRef="image045.png"/>
+ <o:File HRef="image053.png"/>
  <o:File HRef="image076.gif"/>
- <o:File HRef="image047.png"/>
+ <o:File HRef="image055.png"/>
  <o:File HRef="image077.gif"/>
- <o:File HRef="image049.png"/>
+ <o:File HRef="image084.png"/>
  <o:File HRef="image078.gif"/>
- <o:File HRef="image051.png"/>
+ <o:File HRef="image086.png"/>
  <o:File HRef="image079.gif"/>
- <o:File HRef="image053.png"/>
+ <o:File HRef="image088.png"/>
  <o:File HRef="image080.gif"/>
- <o:File HRef="image055.png"/>
- <o:File HRef="image081.gif"/>
- <o:File HRef="image084.png"/>
- <o:File HRef="image082.gif"/>
- <o:File HRef="image086.png"/>
- <o:File HRef="image083.gif"/>
- <o:File HRef="image088.png"/>
- <o:File HRef="image085.gif"/>
  <o:File HRef="filelist.xml"/>
 </xml>