this means change in volume at constant ratio i.e. A:B:C remains constant<br>though the volume either compressed or expanded by given percentage.<br><br><br><div class="gmail_quote">2010/2/27 Ghosh SUDDHASATTWA <span dir="ltr"><<a href="mailto:ssghosh@igcar.gov.in">ssghosh@igcar.gov.in</a>></span><br>
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<p class="MsoNormal"><font face="Times New Roman" size="2"><span style="font-size: 11pt;">Dear Wien2k Users, </span></font></p>
<p class="MsoNormal"><font face="Times New Roman" size="2"><span style="font-size: 11pt;">The UG explains beautifully the structure optimization of TiC which is
carried out by option 1 of structure optimization. </span></font></p>
<p class="MsoNormal"><font face="Times New Roman" size="2"><span style="font-size: 11pt;">The input is the change in volume with constant ratio A:B:C </span></font></p>
<p class="MsoNormal"><font face="Times New Roman" size="2"><span style="font-size: 11pt;">We input is as </span></font></p>
<p class="MsoNormal"><font face="Times New Roman" size="2"><span style="font-size: 11pt;">-10 </span></font></p>
<p class="MsoNormal"><font face="Times New Roman" size="2"><span style="font-size: 11pt;">-5 </span></font></p>
<p class="MsoNormal"><font face="Times New Roman" size="2"><span style="font-size: 11pt;">0 </span></font></p>
<p class="MsoNormal"><font face="Times New Roman" size="2"><span style="font-size: 11pt;">5</span></font></p>
<p class="MsoNormal"><font face="Times New Roman" size="2"><span style="font-size: 11pt;">10 </span></font></p>
<p class="MsoNormal"><font face="Times New Roman" size="2"><span style="font-size: 11pt;">In the w2web. </span></font></p>
<p class="MsoNormal"><font face="Times New Roman" size="2"><span style="font-size: 11pt;"> </span></font></p>
<p class="MsoNormal"><font face="Times New Roman" size="2"><span style="font-size: 11pt;">Now if we choose an orthorhombic lattice (Option 6:3 D Case) </span></font></p>
<p class="MsoNormal"><font face="Times New Roman" size="2"><span style="font-size: 11pt;">And we enter </span></font></p>
<p class="MsoNormal"><font face="Times New Roman" size="2"><span style="font-size: 11pt;">-10</span></font></p>
<p class="MsoNormal"><font face="Times New Roman" size="2"><span style="font-size: 11pt;">-5</span></font></p>
<p class="MsoNormal"><font face="Times New Roman" size="2"><span style="font-size: 11pt;">0 </span></font></p>
<p class="MsoNormal"><font face="Times New Roman" size="2"><span style="font-size: 11pt;">5 </span></font></p>
<p class="MsoNormal"><font face="Times New Roman" size="2"><span style="font-size: 11pt;">10 </span></font></p>
<p class="MsoNormal"><font face="Times New Roman" size="2"><span style="font-size: 11pt;">Does it mean that we are varying A ,B and C (which are different, of
course) by these percentages. That means A, B and C are changed equally even
though their values are different. </span></font></p>
<p class="MsoNormal"><font face="Times New Roman" size="2"><span style="font-size: 11pt;">Am I right Sir? </span></font></p>
<p class="MsoNormal"><font face="Times New Roman" size="2"><span style="font-size: 11pt;"> </span></font></p>
<p class="MsoNormal"><font face="Times New Roman" size="2"><span style="font-size: 11pt;">Suddhasattwa </span></font></p>
<p class="MsoNormal"><font face="Times New Roman" size="2"><span style="font-size: 11pt;"> </span></font></p>
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