Changeset 3630 for Tutorials/Magnetic-II


Ignore:
Timestamp:
Sep 28, 2018 1:16:48 PM (3 years ago)
Author:
vondreele
Message:

a bit more text at end

Location:
Tutorials/Magnetic-II
Files:
33 deleted
2 edited

Legend:

Unmodified
Added
Removed
  • Tutorials/Magnetic-II/Magnetic-II.htm

    r3627 r3630  
    2323  <o:Author>vondreele</o:Author>
    2424  <o:LastAuthor>vondreele</o:LastAuthor>
    25   <o:Revision>11</o:Revision>
    26   <o:TotalTime>1457</o:TotalTime>
     25  <o:Revision>12</o:Revision>
     26  <o:TotalTime>1482</o:TotalTime>
    2727  <o:Created>2018-09-19T19:30:00Z</o:Created>
    28   <o:LastSaved>2018-09-28T16:01:00Z</o:LastSaved>
     28  <o:LastSaved>2018-09-28T18:15:00Z</o:LastSaved>
    2929  <o:Pages>23</o:Pages>
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    3232  <o:Company>Argonne National Laboratory</o:Company>
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    1293         mso-level-number-position:left;
    1294         text-indent:-.25in;}
    1295 @list l6:level6
    1296         {mso-level-number-format:roman-lower;
    1297         mso-level-tab-stop:none;
    1298         mso-level-number-position:right;
    1299         text-indent:-9.0pt;}
    1300 @list l6:level7
    1301         {mso-level-tab-stop:none;
    1302         mso-level-number-position:left;
    1303         text-indent:-.25in;}
    1304 @list l6:level8
    1305         {mso-level-number-format:alpha-lower;
    1306         mso-level-tab-stop:none;
    1307         mso-level-number-position:left;
    1308         text-indent:-.25in;}
    1309 @list l6:level9
    1310         {mso-level-number-format:roman-lower;
    1311         mso-level-tab-stop:none;
    1312         mso-level-number-position:right;
    1313         text-indent:-9.0pt;}
    1314 @list l7
    1315         {mso-list-id:608973138;
    1316         mso-list-type:hybrid;
    1317         mso-list-template-ids:-1449999034 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    1318 @list l7:level1
    1319         {mso-level-tab-stop:none;
    1320         mso-level-number-position:left;
    1321         margin-left:.25in;
    1322         text-indent:-.25in;}
    1323 @list l7:level2
    1324         {mso-level-number-format:alpha-lower;
    1325         mso-level-tab-stop:none;
    1326         mso-level-number-position:left;
    1327         margin-left:.75in;
    1328         text-indent:-.25in;}
    1329 @list l7:level3
    1330         {mso-level-number-format:roman-lower;
    1331         mso-level-tab-stop:none;
    1332         mso-level-number-position:right;
    1333         margin-left:1.25in;
    1334         text-indent:-9.0pt;}
    1335 @list l7:level4
    1336         {mso-level-tab-stop:none;
    1337         mso-level-number-position:left;
    1338         margin-left:1.75in;
    1339         text-indent:-.25in;}
    1340 @list l7:level5
    1341         {mso-level-number-format:alpha-lower;
    1342         mso-level-tab-stop:none;
    1343         mso-level-number-position:left;
    1344         margin-left:2.25in;
    1345         text-indent:-.25in;}
    1346 @list l7:level6
    1347         {mso-level-number-format:roman-lower;
    1348         mso-level-tab-stop:none;
    1349         mso-level-number-position:right;
    1350         margin-left:2.75in;
    1351         text-indent:-9.0pt;}
    1352 @list l7:level7
    1353         {mso-level-tab-stop:none;
    1354         mso-level-number-position:left;
    1355         margin-left:3.25in;
    1356         text-indent:-.25in;}
    1357 @list l7:level8
    1358         {mso-level-number-format:alpha-lower;
    1359         mso-level-tab-stop:none;
    1360         mso-level-number-position:left;
    1361         margin-left:3.75in;
    1362         text-indent:-.25in;}
    1363 @list l7:level9
    1364         {mso-level-number-format:roman-lower;
    1365         mso-level-tab-stop:none;
    1366         mso-level-number-position:right;
    1367         margin-left:4.25in;
    1368         text-indent:-9.0pt;}
    1369 @list l8
    1370         {mso-list-id:974749577;
    1371         mso-list-type:hybrid;
    1372         mso-list-template-ids:-1793575708 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    1373 @list l8:level1
    1374         {mso-level-tab-stop:none;
    1375         mso-level-number-position:left;
    1376         margin-left:.75in;
    1377         text-indent:-.25in;}
    1378 @list l8:level2
    1379         {mso-level-number-format:alpha-lower;
    1380         mso-level-tab-stop:none;
    1381         mso-level-number-position:left;
    1382         margin-left:1.25in;
    1383         text-indent:-.25in;}
    1384 @list l8:level3
    1385         {mso-level-number-format:roman-lower;
    1386         mso-level-tab-stop:none;
    1387         mso-level-number-position:right;
    1388         margin-left:1.75in;
    1389         text-indent:-9.0pt;}
    1390 @list l8:level4
    1391         {mso-level-tab-stop:none;
    1392         mso-level-number-position:left;
    1393         margin-left:2.25in;
    1394         text-indent:-.25in;}
    1395 @list l8:level5
    1396         {mso-level-number-format:alpha-lower;
    1397         mso-level-tab-stop:none;
    1398         mso-level-number-position:left;
    1399         margin-left:2.75in;
    1400         text-indent:-.25in;}
    1401 @list l8:level6
    1402         {mso-level-number-format:roman-lower;
    1403         mso-level-tab-stop:none;
    1404         mso-level-number-position:right;
    1405         margin-left:3.25in;
    1406         text-indent:-9.0pt;}
    1407 @list l8:level7
    1408         {mso-level-tab-stop:none;
    1409         mso-level-number-position:left;
    1410         margin-left:3.75in;
    1411         text-indent:-.25in;}
    1412 @list l8:level8
    1413         {mso-level-number-format:alpha-lower;
    1414         mso-level-tab-stop:none;
    1415         mso-level-number-position:left;
    1416         margin-left:4.25in;
    1417         text-indent:-.25in;}
    1418 @list l8:level9
    1419         {mso-level-number-format:roman-lower;
    1420         mso-level-tab-stop:none;
    1421         mso-level-number-position:right;
    1422         margin-left:4.75in;
    1423         text-indent:-9.0pt;}
    1424 @list l9
    1425         {mso-list-id:1048064912;
    1426         mso-list-type:hybrid;
    1427         mso-list-template-ids:114964210 -1909277668 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    1428 @list l9:level1
    1429         {mso-level-tab-stop:none;
    1430         mso-level-number-position:left;
    1431         text-indent:-.25in;}
    1432 @list l9:level2
    1433         {mso-level-number-format:alpha-lower;
    1434         mso-level-tab-stop:none;
    1435         mso-level-number-position:left;
    1436         text-indent:-.25in;}
    1437 @list l9:level3
    1438         {mso-level-number-format:roman-lower;
    1439         mso-level-tab-stop:none;
    1440         mso-level-number-position:right;
    1441         text-indent:-9.0pt;}
    1442 @list l9:level4
    1443         {mso-level-tab-stop:none;
    1444         mso-level-number-position:left;
    1445         text-indent:-.25in;}
    1446 @list l9:level5
    1447         {mso-level-number-format:alpha-lower;
    1448         mso-level-tab-stop:none;
    1449         mso-level-number-position:left;
    1450         text-indent:-.25in;}
    1451 @list l9:level6
    1452         {mso-level-number-format:roman-lower;
    1453         mso-level-tab-stop:none;
    1454         mso-level-number-position:right;
    1455         text-indent:-9.0pt;}
    1456 @list l9:level7
    1457         {mso-level-tab-stop:none;
    1458         mso-level-number-position:left;
    1459         text-indent:-.25in;}
    1460 @list l9:level8
    1461         {mso-level-number-format:alpha-lower;
    1462         mso-level-tab-stop:none;
    1463         mso-level-number-position:left;
    1464         text-indent:-.25in;}
    1465 @list l9:level9
    1466         {mso-level-number-format:roman-lower;
    1467         mso-level-tab-stop:none;
    1468         mso-level-number-position:right;
    1469         text-indent:-9.0pt;}
    1470 @list l10
    1471         {mso-list-id:1315649419;
    1472         mso-list-type:hybrid;
    1473         mso-list-template-ids:949666434 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    1474 @list l10:level1
    1475         {mso-level-tab-stop:none;
    1476         mso-level-number-position:left;
    1477         text-indent:-.25in;}
    1478 @list l10:level2
    1479         {mso-level-number-format:alpha-lower;
    1480         mso-level-tab-stop:none;
    1481         mso-level-number-position:left;
    1482         text-indent:-.25in;}
    1483 @list l10:level3
    1484         {mso-level-number-format:roman-lower;
    1485         mso-level-tab-stop:none;
    1486         mso-level-number-position:right;
    1487         text-indent:-9.0pt;}
    1488 @list l10:level4
    1489         {mso-level-tab-stop:none;
    1490         mso-level-number-position:left;
    1491         text-indent:-.25in;}
    1492 @list l10:level5
    1493         {mso-level-number-format:alpha-lower;
    1494         mso-level-tab-stop:none;
    1495         mso-level-number-position:left;
    1496         text-indent:-.25in;}
    1497 @list l10:level6
    1498         {mso-level-number-format:roman-lower;
    1499         mso-level-tab-stop:none;
    1500         mso-level-number-position:right;
    1501         text-indent:-9.0pt;}
    1502 @list l10:level7
    1503         {mso-level-tab-stop:none;
    1504         mso-level-number-position:left;
    1505         text-indent:-.25in;}
    1506 @list l10:level8
    1507         {mso-level-number-format:alpha-lower;
    1508         mso-level-tab-stop:none;
    1509         mso-level-number-position:left;
    1510         text-indent:-.25in;}
    1511 @list l10:level9
    1512         {mso-level-number-format:roman-lower;
    1513         mso-level-tab-stop:none;
    1514         mso-level-number-position:right;
    1515         text-indent:-9.0pt;}
    1516 @list l11
    1517         {mso-list-id:1441100642;
    1518         mso-list-type:hybrid;
    1519         mso-list-template-ids:2009885262 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    1520 @list l11:level1
    1521         {mso-level-tab-stop:none;
    1522         mso-level-number-position:left;
    1523         margin-left:1.0in;
    1524         text-indent:-.25in;}
    1525 @list l11:level2
    1526         {mso-level-number-format:alpha-lower;
    1527         mso-level-tab-stop:none;
    1528         mso-level-number-position:left;
    1529         margin-left:1.5in;
    1530         text-indent:-.25in;}
    1531 @list l11:level3
    1532         {mso-level-number-format:roman-lower;
    1533         mso-level-tab-stop:none;
    1534         mso-level-number-position:right;
    1535         margin-left:2.0in;
    1536         text-indent:-9.0pt;}
    1537 @list l11:level4
    1538         {mso-level-tab-stop:none;
    1539         mso-level-number-position:left;
    1540         margin-left:2.5in;
    1541         text-indent:-.25in;}
    1542 @list l11:level5
    1543         {mso-level-number-format:alpha-lower;
    1544         mso-level-tab-stop:none;
    1545         mso-level-number-position:left;
    1546         margin-left:3.0in;
    1547         text-indent:-.25in;}
    1548 @list l11:level6
    1549         {mso-level-number-format:roman-lower;
    1550         mso-level-tab-stop:none;
    1551         mso-level-number-position:right;
    1552         margin-left:3.5in;
    1553         text-indent:-9.0pt;}
    1554 @list l11:level7
    1555         {mso-level-tab-stop:none;
    1556         mso-level-number-position:left;
    1557         margin-left:4.0in;
    1558         text-indent:-.25in;}
    1559 @list l11:level8
    1560         {mso-level-number-format:alpha-lower;
    1561         mso-level-tab-stop:none;
    1562         mso-level-number-position:left;
    1563         margin-left:4.5in;
    1564         text-indent:-.25in;}
    1565 @list l11:level9
    1566         {mso-level-number-format:roman-lower;
    1567         mso-level-tab-stop:none;
    1568         mso-level-number-position:right;
    1569         margin-left:5.0in;
    1570         text-indent:-9.0pt;}
    1571 @list l12
    1572         {mso-list-id:1809937513;
    1573         mso-list-type:hybrid;
    1574         mso-list-template-ids:1151263862 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    1575 @list l12:level1
    1576         {mso-level-tab-stop:none;
    1577         mso-level-number-position:left;
    1578         margin-left:1.0in;
    1579         text-indent:-.25in;}
    1580 @list l12:level2
    1581         {mso-level-number-format:alpha-lower;
    1582         mso-level-tab-stop:none;
    1583         mso-level-number-position:left;
    1584         margin-left:1.5in;
    1585         text-indent:-.25in;}
    1586 @list l12:level3
    1587         {mso-level-number-format:roman-lower;
    1588         mso-level-tab-stop:none;
    1589         mso-level-number-position:right;
    1590         margin-left:2.0in;
    1591         text-indent:-9.0pt;}
    1592 @list l12:level4
    1593         {mso-level-tab-stop:none;
    1594         mso-level-number-position:left;
    1595         margin-left:2.5in;
    1596         text-indent:-.25in;}
    1597 @list l12:level5
    1598         {mso-level-number-format:alpha-lower;
    1599         mso-level-tab-stop:none;
    1600         mso-level-number-position:left;
    1601         margin-left:3.0in;
    1602         text-indent:-.25in;}
    1603 @list l12:level6
    1604         {mso-level-number-format:roman-lower;
    1605         mso-level-tab-stop:none;
    1606         mso-level-number-position:right;
    1607         margin-left:3.5in;
    1608         text-indent:-9.0pt;}
    1609 @list l12:level7
    1610         {mso-level-tab-stop:none;
    1611         mso-level-number-position:left;
    1612         margin-left:4.0in;
    1613         text-indent:-.25in;}
    1614 @list l12:level8
    1615         {mso-level-number-format:alpha-lower;
    1616         mso-level-tab-stop:none;
    1617         mso-level-number-position:left;
    1618         margin-left:4.5in;
    1619         text-indent:-.25in;}
    1620 @list l12:level9
    1621         {mso-level-number-format:roman-lower;
    1622         mso-level-tab-stop:none;
    1623         mso-level-number-position:right;
    1624         margin-left:5.0in;
    1625         text-indent:-9.0pt;}
    1626 @list l13
    1627         {mso-list-id:1907304903;
    1628         mso-list-type:hybrid;
    1629         mso-list-template-ids:-922946780 -32725316 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    1630 @list l13:level1
    1631         {mso-level-start-at:2;
    1632         mso-level-tab-stop:none;
    1633         mso-level-number-position:left;
    1634         text-indent:-.25in;}
    1635 @list l13:level2
    1636         {mso-level-number-format:alpha-lower;
    1637         mso-level-tab-stop:none;
    1638         mso-level-number-position:left;
    1639         text-indent:-.25in;}
    1640 @list l13:level3
    1641         {mso-level-number-format:roman-lower;
    1642         mso-level-tab-stop:none;
    1643         mso-level-number-position:right;
    1644         text-indent:-9.0pt;}
    1645 @list l13:level4
    1646         {mso-level-tab-stop:none;
    1647         mso-level-number-position:left;
    1648         text-indent:-.25in;}
    1649 @list l13:level5
    1650         {mso-level-number-format:alpha-lower;
    1651         mso-level-tab-stop:none;
    1652         mso-level-number-position:left;
    1653         text-indent:-.25in;}
    1654 @list l13:level6
    1655         {mso-level-number-format:roman-lower;
    1656         mso-level-tab-stop:none;
    1657         mso-level-number-position:right;
    1658         text-indent:-9.0pt;}
    1659 @list l13:level7
    1660         {mso-level-tab-stop:none;
    1661         mso-level-number-position:left;
    1662         text-indent:-.25in;}
    1663 @list l13:level8
    1664         {mso-level-number-format:alpha-lower;
    1665         mso-level-tab-stop:none;
    1666         mso-level-number-position:left;
    1667         text-indent:-.25in;}
    1668 @list l13:level9
    16691261        {mso-level-number-format:roman-lower;
    16701262        mso-level-tab-stop:none;
     
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    1764 text-indent:-.25in;mso-list:l7 level1 lfo1'><![if !supportLists]><span
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    17991391
    18001392<p class=MsoNormal><o:p>&nbsp;</o:p></p>
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    1803 text-indent:-.25in;mso-list:l7 level1 lfo1'><![if !supportLists]><span
     1395text-indent:-.25in;mso-list:l2 level1 lfo2'><![if !supportLists]><span
    18041396style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
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    18241416<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
    1825 auto;text-indent:-.25in;mso-list:l7 level1 lfo1'><![if !supportLists]><span
     1417auto;text-indent:-.25in;mso-list:l2 level1 lfo2'><![if !supportLists]><span
    18261418style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
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    18641456 <v:imagedata src="Magnetic-II_files/image001.png" o:title=""/>
    18651457</v:shape><![endif]--><![if !vml]><img border=0 width=453 height=297
    1866 src="Magnetic-II_files/image007.png" v:shapes="Picture_x0020_1"><![endif]></span></p>
     1458src="Magnetic-II_files/image002.png" v:shapes="Picture_x0020_1"><![endif]></span></p>
    18671459
    18681460<p class=MsoNormal><span class=GramE>and</span> the plot window will show the
    1869 powder pattern<o:p></o:p></p>
     1461powder pattern</p>
    18701462
    18711463<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto'><span
     
    18751467 <v:imagedata src="Magnetic-II_files/image003.png" o:title=""/>
    18761468</v:shape><![endif]--><![if !vml]><img border=0 width=455 height=465
    1877 src="Magnetic-II_files/image008.png" v:shapes="Picture_x0020_2"><![endif]></span></p>
     1469src="Magnetic-II_files/image004.png" v:shapes="Picture_x0020_2"><![endif]></span></p>
    18781470
    18791471<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto'>We
     
    18831475
    18841476<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
    1885 text-indent:-.25in;mso-list:l8 level1 lfo2'><![if !supportLists]><span
     1477text-indent:-.25in;mso-list:l3 level1 lfo4'><![if !supportLists]><span
    18861478style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    18871479style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
     
    18971489minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
    18981490mso-hansi-theme-font:minor-latin'>Help/Download tutorial</span></b><span
    1899 style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'> menu
    1900 entry to open this page and downloaded the exercise files (recommended), then
    1901 the </span><b style='mso-bidi-font-weight:normal'><span style='font-family:
     1491style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
     1492menu entry to open this page and downloaded the exercise files (recommended),
     1493then the </span><b style='mso-bidi-font-weight:normal'><span style='font-family:
    19021494"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-fareast-font-family:
    19031495Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Magnetic-II/data/...</span></b><span
     
    19061498is also possible to download them manually from <a
    19071499href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-II/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-II/data/</a>.
    1908 In this case you will need to navigate to the download location manually.)</span><o:p></o:p></p>
     1500In this case you will need to navigate to the download location manually.)</span></p>
    19091501
    19101502<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
    1911 auto;text-indent:-.25in;mso-list:l8 level1 lfo2'><![if !supportLists]><span
     1503auto;text-indent:-.25in;mso-list:l3 level1 lfo4'><![if !supportLists]><span
    19121504style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    19131505style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
     
    19321524style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    19331525mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    1934 minor-latin'>OK</span></b> to continue.<o:p></o:p></p>
     1526minor-latin'>OK</span></b> to continue.</p>
    19351527
    19361528<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto;
    1937 text-indent:-.25in;mso-list:l8 level1 lfo2'><![if !supportLists]><span
     1529text-indent:-.25in;mso-list:l3 level1 lfo4'><![if !supportLists]><span
    19381530style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    19391531style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Next
     
    19511543 <v:imagedata src="Magnetic-II_files/image005.png" o:title=""/>
    19521544</v:shape><![endif]--><![if !vml]><img border=0 width=457 height=236
    1953 src="Magnetic-II_files/image009.png" v:shapes="Picture_x0020_3"><![endif]></span><o:p></o:p></p>
     1545src="Magnetic-II_files/image006.png" v:shapes="Picture_x0020_3"><![endif]></span></p>
    19541546
    19551547<p class=MsoNormal><o:p>&nbsp;</o:p></p>
     
    19661558minor-latin;mso-bidi-theme-font:minor-latin'>Cr2WO6 150K</span></b>; the
    19671559refinement proceeded quickly. The fit is quite poor (<span class=SpellE>wR</span>
    1968 ~46%), mostly from bad peak positions. This is a combination of lattice parameters
    1969 being smaller at 150K vs room temperature and sample placement on the
    1970 goniometer. Find the <b style='mso-bidi-font-weight:normal'><span
     1560~46%), mostly from bad peak positions. This is a combination of lattice
     1561parameters being smaller at 150K vs room temperature and sample placement on
     1562the goniometer. Find the <b style='mso-bidi-font-weight:normal'><span
    19711563style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    19721564mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Sample
     
    20011593<h3>Step 1. Read in the data file</h3>
    20021594
    2003 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo4'><![if !supportLists]><span
     1595<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo6'><![if !supportLists]><span
    20041596style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    20051597style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><i
     
    20261618href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-II/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-II/data/</a>.
    20271619In this case you will need to navigate to the download location manually.)<br>
    2028 For this tutorial you will not see the data file in the file browser, because the
    2029 extensions on data files are not the expected ones, you will need to change the
    2030 file type to </span><b style='mso-bidi-font-weight:normal'><span
     1620For this tutorial you will not see the data file in the file browser, because
     1621the extensions on data files are not the expected ones, you will need to change
     1622the file type to </span><b style='mso-bidi-font-weight:normal'><span
    20311623style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    20321624mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
    20331625minor-latin;mso-bidi-theme-font:minor-latin'>All files (*.*)</span></b><span
    20341626style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'> to
    2035 find the desired file.</span><o:p></o:p></p>
    2036 
    2037 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo4'><![if !supportLists]><span
     1627find the desired file.</span></p>
     1628
     1629<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo6'><![if !supportLists]><span
    20381630style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    20391631style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
     
    20541646style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    20551647mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    2056 minor-latin'>Yes</span></b></span> button to proceed.<o:p></o:p></p>
    2057 
    2058 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l5 level1 lfo4'><![if !supportLists]><span
     1648minor-latin'>Yes</span></b></span> button to proceed.</p>
     1649
     1650<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 level1 lfo6'><![if !supportLists]><span
    20591651style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    20601652style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Since
     
    20701662style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    20711663mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    2072 minor-latin'>GSAS-II data tree</span></b> window will have several entries <o:p></o:p></p>
     1664minor-latin'>GSAS-II data tree</span></b> window will have several entries </p>
    20731665
    20741666<h3><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_4"
     
    20771669 <v:imagedata src="Magnetic-II_files/image010.png" o:title=""/>
    20781670</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=302
    2079 src="Magnetic-II_files/image011.png" v:shapes="Picture_x0020_4"><![endif]></span></h3>
     1671src="Magnetic-II_files/image033.png" v:shapes="Picture_x0020_4"><![endif]></span></h3>
    20801672
    20811673<p class=MsoNormal><span class=GramE>and</span> the plot window will show the
     
    20871679 <v:imagedata src="Magnetic-II_files/image012.png" o:title=""/>
    20881680</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=492
    2089 src="Magnetic-II_files/image013.png" v:shapes="Picture_x0020_5"><![endif]></span></h3>
    2090 
    2091 <p class=MsoNormal>We will use the default limits.<o:p></o:p></p>
    2092 
    2093 <h3>Step 2. Read in the chemical structure for Cr2WO6<o:p></o:p></h3>
    2094 
    2095 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l3 level1 lfo7'><![if !supportLists]><span
     1681src="Magnetic-II_files/image034.png" v:shapes="Picture_x0020_5"><![endif]></span></h3>
     1682
     1683<p class=MsoNormal>We will use the default limits.</p>
     1684
     1685<h3>Step 2. Read in the chemical structure for Cr2WO6</h3>
     1686
     1687<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo8'><![if !supportLists]><span
    20961688style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    20971689style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
     
    21011693menu item to read the phase information for CrWO6 into the current GSAS-II
    21021694project. The file you want is the one from the 1<sup>st</sup> part of this
    2103 tutorial and should be in your current directory. This read option is set to read
    2104 from other GSAS-II project files. Other submenu items can read phase
    2105 information in other formats.<span style='mso-spacerun:yes'>  </span><o:p></o:p></p>
     1695tutorial and should be in your current directory. This read option is set to
     1696read from other GSAS-II project files. Other submenu items can read phase
     1697information in other formats.<span style='mso-spacerun:yes'>  </span></p>
    21061698
    21071699<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto;
    2108 text-indent:-.25in;mso-list:l3 level1 lfo7'><![if !supportLists]><span
     1700text-indent:-.25in;mso-list:l0 level1 lfo8'><![if !supportLists]><span
    21091701style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    21101702style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
     
    21291721normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    21301722minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
    2131 to continue.<o:p></o:p></p>
     1723to continue.</p>
    21321724
    21331725<p class=MsoNormal>Next is the histogram selection window; this connects the
     
    21451737 <v:imagedata src="Magnetic-II_files/image014.png" o:title=""/>
    21461738</v:shape><![endif]--><![if !vml]><img border=0 width=483 height=304
    2147 src="Magnetic-II_files/image015.png" v:shapes="Picture_x0020_7"><![endif]></span></p>
    2148 
    2149 <h3>Step 3. Check powder pattern indexing<o:p></o:p></h3>
     1739src="Magnetic-II_files/image035.png" v:shapes="Picture_x0020_7"><![endif]></span></p>
     1740
     1741<h3>Step 3. Check powder pattern indexing</h3>
    21501742
    21511743<p class=MsoNormal>Here the objective is to determine how the reflection
    21521744positions generated from the chemical (“nuclear”) crystal structure lattice
    2153 match up with the peaks observed for this antiferromagnet. <o:p></o:p></p>
    2154 
    2155 <p class=MsoListParagraph style='text-indent:-.25in;mso-list:l9 level1 lfo9'><![if !supportLists]><span
     1745match up with the peaks observed for this antiferromagnet. </p>
     1746
     1747<p class=MsoListParagraph style='text-indent:-.25in;mso-list:l4 level1 lfo10'><![if !supportLists]><span
    21561748style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    21571749style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
     
    21651757 <v:imagedata src="Magnetic-II_files/image016.png" o:title=""/>
    21661758</v:shape><![endif]--><![if !vml]><img border=0 width=431 height=148
    2167 src="Magnetic-II_files/image017.png" v:shapes="Picture_x0020_8"><![endif]></span></p>
     1759src="Magnetic-II_files/image036.png" v:shapes="Picture_x0020_8"><![endif]></span></p>
    21681760
    21691761<p class=MsoNormal style='margin-left:.5in'>This can be use lattice parameters
    21701762&amp; space groups to generate expected reflection positions to check against
    2171 the peaks in the powder pattern. <o:p></o:p></p>
    2172 
    2173 <p class=MsoListParagraph style='text-indent:-.25in;mso-list:l13 level1 lfo14'><![if !supportLists]><span
     1763the peaks in the powder pattern. </p>
     1764
     1765<p class=MsoListParagraph style='text-indent:-.25in;mso-list:l5 level1 lfo12'><![if !supportLists]><span
    21741766style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    21751767style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>One
     
    21971789 <v:imagedata src="Magnetic-II_files/image018.png" o:title=""/>
    21981790</v:shape><![endif]--><![if !vml]><img border=0 width=447 height=152
    2199 src="Magnetic-II_files/image019.png" v:shapes="Picture_x0020_9"><![endif]></span></p>
     1791src="Magnetic-II_files/image037.png" v:shapes="Picture_x0020_9"><![endif]></span></p>
    22001792
    22011793<p class=MsoNormal style='margin-left:.5in'><span class=GramE>showing</span>
     
    22141806 <v:imagedata src="Magnetic-II_files/image020.png" o:title=""/>
    22151807</v:shape><![endif]--><![if !vml]><img border=0 width=432 height=442
    2216 src="Magnetic-II_files/image021.png" v:shapes="Picture_x0020_10"><![endif]></span></p>
     1808src="Magnetic-II_files/image038.png" v:shapes="Picture_x0020_10"><![endif]></span></p>
    22171809
    22181810<p class=MsoNormal style='margin-left:.5in'>Notice that every peak (apart from
    2219 some junk!) is indexed, especially the intense lowest angle peak. Put the
    2220 cursor on it to identify it (001) as that will be useful in selecting possible
     1811some junk!) is indexed, especially the intense lowest angle peak. Put the cursor
     1812on it to identify it (001) as that will be useful in selecting possible
    22211813magnetic structures. In this case ones with only <span class=SpellE>mz</span>
    22221814allowed by symmetry are not the correct ones. No doubling of the unit cell
    22231815along any axes is needed, this makes the magnetic propagation vector, <span
    22241816class=SpellE>kx</span> <span class=SpellE>ky</span> <span class=SpellE>kz</span>
    2225 = 0<span class=GramE>,0,0</span>; this will be needed in the next step.<o:p></o:p></p>
    2226 
    2227 <p class=MsoListParagraph style='text-indent:-.25in;mso-list:l13 level1 lfo14'><![if !supportLists]><span
     1817= 0<span class=GramE>,0,0</span>; this will be needed in the next step.</p>
     1818
     1819<p class=MsoListParagraph style='text-indent:-.25in;mso-list:l5 level1 lfo12'><![if !supportLists]><span
    22281820style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    22291821style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Reset
     
    22381830Cell</span></b> again if you wish).</p>
    22391831
    2240 <h3>Step 4. Run k-SUBGROUPSMAG<o:p></o:p></h3>
     1832<h3>Step 4. Run k-SUBGROUPSMAG</h3>
    22411833
    22421834<p class=MsoNormal>In this next step, you will be accessing the Bilbao
     
    22451837style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    22461838mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Run
    2247 k-SUBGROUPSMAG</span></b>; a small popup dialog will appear<o:p></o:p></p>
    2248 
    2249 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2250  id="Picture_x0020_11" o:spid="_x0000_i1053" type="#_x0000_t75" style='width:166.5pt;
    2251  height:278.25pt;visibility:visible;mso-wrap-style:square'>
     1839k-SUBGROUPSMAG</span></b>; a small popup dialog will appear</p>
     1840
     1841<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1842 id="_x0000_i1053" type="#_x0000_t75" style='width:166.5pt;height:278.25pt;
     1843 visibility:visible;mso-wrap-style:square'>
    22521844 <v:imagedata src="Magnetic-II_files/image022.png" o:title=""/>
    22531845</v:shape><![endif]--><![if !vml]><img border=0 width=222 height=371
    2254 src="Magnetic-II_files/image022.png" v:shapes="Picture_x0020_11"><![endif]></span></p>
     1846src="Magnetic-II_files/image022.png" v:shapes="_x0000_i1053"><![endif]></span></p>
    22551847
    22561848<p class=MsoNormal>These are the controls for running the Bilbao routine. The
     
    22691861minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>.
    22701862A popup dialog will appear reminding you how to cite the Bilbao routine in any
    2271 paper you write using this facility.<o:p></o:p></p>
    2272 
    2273 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2274  id="_x0000_i1052" type="#_x0000_t75" style='width:357.75pt;height:123.75pt;
    2275  visibility:visible;mso-wrap-style:square'>
     1863paper you write using this facility.</p>
     1864
     1865<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1866 id="Picture_x0020_11" o:spid="_x0000_i1052" type="#_x0000_t75" style='width:357.75pt;
     1867 height:123.75pt;visibility:visible;mso-wrap-style:square'>
    22761868 <v:imagedata src="Magnetic-II_files/image023.png" o:title=""/>
    22771869</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=165
    2278 src="Magnetic-II_files/image024.png" v:shapes="_x0000_i1052"><![endif]></span><o:p></o:p></p>
     1870src="Magnetic-II_files/image039.png" v:shapes="Picture_x0020_11"><![endif]></span></p>
    22791871
    22801872<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
     
    22991891normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    23001892minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cr2WO6
    2301 4K.gpx</span></b>”).<o:p></o:p></p>
     18934K.gpx</span></b>”).</p>
    23021894
    23031895<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     
    23061898 <v:imagedata src="Magnetic-II_files/image025.png" o:title=""/>
    23071899</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=438
    2308 src="Magnetic-II_files/image026.png" v:shapes="Picture_x0020_13"><![endif]></span></p>
     1900src="Magnetic-II_files/image040.png" v:shapes="Picture_x0020_13"><![endif]></span></p>
    23091901
    23101902<p class=MsoNormal>The table shows all the magnetic space groups that are
     
    23121904is noted in the table heading. Notice that it goes all the way to a triclinic
    23131905P1 magnetic space group; you probably will never need to go that far to find a
    2314 suitable magnetic space group. The ones marked ‘Keep’ have a possibly magnetic Cr
    2315 atom based on the magnetic site symmetries of the transformed atom positions
     1906suitable magnetic space group. The ones marked ‘Keep’ have a possibly magnetic
     1907Cr atom based on the magnetic site symmetries of the transformed atom positions
    23161908(there may be more than one). Each entry also shows the transformation matrix
    23171909in symbolic form and the necessary origin shift so that the new structure is
     
    23321924 <v:imagedata src="Magnetic-II_files/image027.png" o:title=""/>
    23331925</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=438
    2334 src="Magnetic-II_files/image028.png" v:shapes="Picture_x0020_14"><![endif]></span></p>
     1926src="Magnetic-II_files/image041.png" v:shapes="Picture_x0020_14"><![endif]></span></p>
    23351927
    23361928<p class=MsoNormal>There are only 4 tetragonal ones and ~20 orthorhombic ones.
     
    23471939mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    23481940minor-latin'>Cr2WO6</span></b> phase from the GSAS-II data tree (under Phases).
    2349 The General tab is shown for this nuclear phase.<o:p></o:p></p>
     1941The General tab is shown for this nuclear phase.</p>
    23501942
    23511943<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     
    23541946 <v:imagedata src="Magnetic-II_files/image029.png" o:title=""/>
    23551947</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=302
    2356 src="Magnetic-II_files/image030.png" v:shapes="Picture_x0020_15"><![endif]></span></p>
     1948src="Magnetic-II_files/image042.png" v:shapes="Picture_x0020_15"><![endif]></span></p>
    23571949
    23581950<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
    23591951style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    23601952mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
    2361 magnetic phase</span></b>; that will make a small popup dialog<o:p></o:p></p>
     1953magnetic phase</span></b>; that will make a small popup dialog</p>
    23621954
    23631955<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     
    24132005 <v:imagedata src="Magnetic-II_files/image043.png" o:title=""/>
    24142006</v:shape><![endif]--><![if !vml]><img border=0 width=483 height=305
    2415 src="Magnetic-II_files/image061.png" v:shapes="Picture_x0020_18"><![endif]></span></p>
     2007src="Magnetic-II_files/image044.png" v:shapes="Picture_x0020_18"><![endif]></span></p>
    24162008
    24172009<p class=MsoNormal>Now select the Atoms tab for the magnetic phase</p>
     
    24222014 <v:imagedata src="Magnetic-II_files/image045.png" o:title=""/>
    24232015</v:shape><![endif]--><![if !vml]><img border=0 width=483 height=100
    2424 src="Magnetic-II_files/image062.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
     2016src="Magnetic-II_files/image046.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
    24252017
    24262018<p class=MsoNormal>You’ll see that both <span class=SpellE><b style='mso-bidi-font-weight:
     
    24572049 <v:imagedata src="Magnetic-II_files/image047.png" o:title=""/>
    24582050</v:shape><![endif]--><![if !vml]><img border=0 width=484 height=99
    2459 src="Magnetic-II_files/image063.png" v:shapes="Picture_x0020_20"><![endif]></span></p>
     2051src="Magnetic-II_files/image048.png" v:shapes="Picture_x0020_20"><![endif]></span></p>
    24602052
    24612053<p class=MsoNormal>Select the one atom and do <span class=GramE><b
     
    24652057style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    24662058mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'> Figure/Fill
    2467 unit cell</span></b>; the table will list 10 atom positions and the drawing will
    2468 show</p>
     2059unit cell</span></b>; the table will list 10 atom positions and the drawing
     2060will show</p>
    24692061
    24702062<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     
    24732065 <v:imagedata src="Magnetic-II_files/image049.png" o:title=""/>
    24742066</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=491
    2475 src="Magnetic-II_files/image064.png" v:shapes="Picture_x0020_21"><![endif]></span></p>
     2067src="Magnetic-II_files/image050.png" v:shapes="Picture_x0020_21"><![endif]></span></p>
    24762068
    24772069<p class=MsoNormal>This is an antiferromagnetic structure. Now select the Atoms
     
    24932085 <v:imagedata src="Magnetic-II_files/image051.png" o:title=""/>
    24942086</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=491
    2495 src="Magnetic-II_files/image065.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
     2087src="Magnetic-II_files/image052.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
    24962088
    24972089<p class=MsoNormal><span class=GramE>which</span> is now a ferromagnetic
    2498 structure. Clearly, this is not correct since we know the material is an antiferromagnet.
    2499 Therefore, in <span class=SpellE>Pn’nm</span>’ My=0 and <span class=SpellE>Mx</span>
    2500 &gt; 0. So we should try refining <span class=SpellE>Mx</span> with <span
    2501 class=GramE>My</span> fixed. Change <span class=SpellE><b style='mso-bidi-font-weight:
    2502 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    2503 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mx</span></b></span><b
    2504 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    2505 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    2506 minor-latin'>=1</span></b> and <span class=GramE><b style='mso-bidi-font-weight:
    2507 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    2508 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>My=</span></b></span><b
     2090structure. Clearly, this is not correct since we know the material is an
     2091antiferromagnet. Therefore, in <span class=SpellE>Pn’nm</span>’ My=0 and <span
     2092class=SpellE>Mx</span> &gt; 0. So we should try refining <span class=SpellE>Mx</span>
     2093with <span class=GramE>My</span> fixed. Change <span class=SpellE><b
     2094style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2095mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     2096minor-latin'>Mx</span></b></span><b style='mso-bidi-font-weight:normal'><span
     2097style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     2098mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>=1</span></b>
     2099and <span class=GramE><b style='mso-bidi-font-weight:normal'><span
     2100style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     2101mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>My=</span></b></span><b
    25092102style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    25102103mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     
    25202113 <v:imagedata src="Magnetic-II_files/image053.png" o:title=""/>
    25212114</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=212
    2522 src="Magnetic-II_files/image066.png" v:shapes="Picture_x0020_23"><![endif]></span></p>
     2115src="Magnetic-II_files/image054.png" v:shapes="Picture_x0020_23"><![endif]></span></p>
    25232116
    25242117<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
     
    25432136<p class=MsoNormal><o:p>&nbsp;</o:p></p>
    25442137
    2545 <p class=MsoNormal>To continue the selection process, we need to use the saved
    2546 project used for the first selection because it contains the table of possible
    2547 magnetic space groups generated by k-SUBGROUPSMAG. Do <b style='mso-bidi-font-weight:
     2138<p class=MsoNormal>To continue the selection process, we need to use the saved project
     2139used for the first selection because it contains the table of possible magnetic
     2140space groups generated by k-SUBGROUPSMAG. Do <b style='mso-bidi-font-weight:
    25482141normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    25492142minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Open
     
    25622155 <v:imagedata src="Magnetic-II_files/image055.png" o:title=""/>
    25632156</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=253
    2564 src="Magnetic-II_files/image067.png" v:shapes="Picture_x0020_24"><![endif]></span></p>
     2157src="Magnetic-II_files/image056.png" v:shapes="Picture_x0020_24"><![endif]></span></p>
    25652158
    25662159<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
     
    26082201 <v:imagedata src="Magnetic-II_files/image059.png" o:title=""/>
    26092202</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=257
    2610 src="Magnetic-II_files/image068.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
     2203src="Magnetic-II_files/image060.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
    26112204
    26122205<p class=MsoNormal>Select the <b style='mso-bidi-font-weight:normal'><span
     
    26202213 <v:imagedata src="Magnetic-II_files/image069.png" o:title=""/>
    26212214</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=96
    2622 src="Magnetic-II_files/image070.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
     2215src="Magnetic-II_files/image077.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
    26232216
    26242217<p class=MsoNormal>Again <span class=SpellE>Mx</span> &amp; <span class=GramE>My
     
    26472240 <v:imagedata src="Magnetic-II_files/image071.png" o:title=""/>
    26482241</v:shape><![endif]--><![if !vml]><img border=0 width=483 height=494
    2649 src="Magnetic-II_files/image072.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
     2242src="Magnetic-II_files/image078.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
    26502243
    26512244<p class=MsoNormal><span class=GramE>which</span> is an antiferromagnetic
     
    26672260 <v:imagedata src="Magnetic-II_files/image073.png" o:title=""/>
    26682261</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=493
    2669 src="Magnetic-II_files/image074.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
     2262src="Magnetic-II_files/image079.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
    26702263
    26712264<p class=MsoNormal><span class=GramE>which</span> is yet another
     
    27112304 <v:imagedata src="Magnetic-II_files/image075.png" o:title=""/>
    27122305</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=489
    2713 src="Magnetic-II_files/image076.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
     2306src="Magnetic-II_files/image080.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
    27142307
    27152308<p class=MsoNormal>Moreover, the 001 magnetic reflection has considerable
     
    27182311
    27192312<h3>Step 8. Complete refinement of structure #43 (<span class=SpellE>Pnn’m</span>)
    2720 for Cr<sub>2</sub>WO<sub>6</sub><o:p></o:p></h3>
     2313for Cr<sub>2</sub>WO<sub>6</sub></h3>
    27212314
    27222315<p class=MsoNormal>From what we noticed about the initial refinement for this
    2723 solution, <span class=SpellE>Mx</span>=0 and needs to be held there. So select the
    2724 <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2316solution, <span class=SpellE>Mx</span>=0 and needs to be held there. So select
     2317the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    27252318mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    27262319minor-latin'>Atoms</span></b> tab for the magnetic phase</p>
     
    27312324 <v:imagedata src="Magnetic-II_files/image081.png" o:title=""/>
    27322325</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=121
    2733 src="Magnetic-II_files/image097.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
     2326src="Magnetic-II_files/image082.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
    27342327
    27352328<p class=MsoNormal>Set <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
     
    27542347 <v:imagedata src="Magnetic-II_files/image083.png" o:title=""/>
    27552348</v:shape><![endif]--><![if !vml]><img border=0 width=483 height=177
    2756 src="Magnetic-II_files/image098.png" v:shapes="Picture_x0020_33"><![endif]></span></p>
     2349src="Magnetic-II_files/image084.png" v:shapes="Picture_x0020_33"><![endif]></span></p>
    27572350
    27582351<p class=MsoNormal>We see this error message. Press <b style='mso-bidi-font-weight:
     
    27662359 <v:imagedata src="Magnetic-II_files/image085.png" o:title=""/>
    27672360</v:shape><![endif]--><![if !vml]><img border=0 width=482 height=268
    2768 src="Magnetic-II_files/image099.png" v:shapes="Picture_x0020_35"><![endif]></span></p>
    2769 
    2770 <p class=MsoNormal>The problem here is that the constraints generator doesn’t
    2771 recognize that the tetragonal A1 (= b*<sup>2</sup>) is not an independent
    2772 parameter and thus cannot be used to constrain its orthorhombic counterpart. To
    2773 fix this we have to delete the offending constraint and insert a new one tying
    2774 the two orthorhombic (A0 &amp; A1) together. First, <span class=GramE><b
     2361src="Magnetic-II_files/image086.png" v:shapes="Picture_x0020_35"><![endif]></span></p>
     2362
     2363<p class=MsoNormal>The problem here is that the constraints generator doesn’t recognize
     2364that the tetragonal A1 (= b*<sup>2</sup>) is not an independent parameter and
     2365thus cannot be used to constrain its orthorhombic counterpart. To fix this we
     2366have to delete the offending constraint and insert a new one tying the two
     2367orthorhombic (A0 &amp; A1) together. First, <span class=GramE><b
    27752368style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    27762369mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     
    27822375 <v:imagedata src="Magnetic-II_files/image087.png" o:title=""/>
    27832376</v:shape><![endif]--><![if !vml]><img border=0 width=475 height=265
    2784 src="Magnetic-II_files/image100.png" v:shapes="Picture_x0020_36"><![endif]></span></p>
     2377src="Magnetic-II_files/image088.png" v:shapes="Picture_x0020_36"><![endif]></span></p>
    27852378
    27862379<p class=MsoNormal>Next do <b style='mso-bidi-font-weight:normal'><span
     
    28012394 <v:imagedata src="Magnetic-II_files/image089.png" o:title=""/>
    28022395</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=230
    2803 src="Magnetic-II_files/image101.png" v:shapes="Picture_x0020_37"><![endif]></span></p>
     2396src="Magnetic-II_files/image090.png" v:shapes="Picture_x0020_37"><![endif]></span></p>
    28042397
    28052398<p class=MsoNormal>Notice the last constraint which ties the two normally
     
    28182411 <v:imagedata src="Magnetic-II_files/image091.png" o:title=""/>
    28192412</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=249
    2820 src="Magnetic-II_files/image102.png" v:shapes="Picture_x0020_38"><![endif]></span></p>
     2413src="Magnetic-II_files/image092.png" v:shapes="Picture_x0020_38"><![endif]></span></p>
    28212414
    28222415<p class=MsoNormal>Now do <b style='mso-bidi-font-weight:normal'><span
     
    28352428 <v:imagedata src="Magnetic-II_files/image093.png" o:title=""/>
    28362429</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=492
    2837 src="Magnetic-II_files/image103.png" v:shapes="Picture_x0020_39"><![endif]></span></p>
     2430src="Magnetic-II_files/image094.png" v:shapes="Picture_x0020_39"><![endif]></span></p>
    28382431
    28392432<p class=MsoNormal>The remaining misfits are from some contaminating phase(s)
     
    28502443style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    28512444mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>SH/L</span></b>
    2852 instrument parameter coefficients. My <span class=SpellE>wR</span> was ~11%. The
    2853 magnetic structure is</p>
     2445instrument parameter coefficients. My <span class=SpellE>wR</span> was ~11%.
     2446The magnetic structure is</p>
    28542447
    28552448<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     
    28582451 <v:imagedata src="Magnetic-II_files/image095.png" o:title=""/>
    28592452</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=494
    2860 src="Magnetic-II_files/image104.png" v:shapes="Picture_x0020_40"><![endif]></span></p>
    2861 
    2862 <p class=MsoNormal>The Cr magnetic moment (m<sub>y</sub>) = 2.35(2) shown in
    2863 Cr2WO6 mag_43.lst.</p>
    2864 
    2865 <p class=MsoNormal>This concludes this tutorial; you may wish to save the
    2866 project.</p>
     2453src="Magnetic-II_files/image096.png" v:shapes="Picture_x0020_40"><![endif]></span></p>
     2454
     2455<p class=MsoNormal>The Cr magnetic moment (m<sub>y</sub>) = 2.35(2) shown in <b
     2456style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2457mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     2458minor-latin'>Cr2WO6 mag_43.lst</span></b>. Notice that the chemical space group
     2459is tetragonal; although the effect is very small, the magnetic ordering will
     2460reduce the chemical cell symmetry to match the magnetic symmetry. The analysis presented
     2461here gives the proper subgroup needed for this description, <span class=SpellE>Pnnm</span>,
     2462along with the transformation (<span class=SpellE>a<span class=GramE>,b,c</span></span>)+0,0,0.
     2463In the present description, our constraints force the orthorhombic magnetic
     2464structure to have the same metrics as a tetragonal description of the chemical
     2465cell. This concludes this tutorial; you may wish to save the project.</p>
    28672466
    28682467</div>
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