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<p>none of the two.</p>
<p>it computes (if I recall correctly) the linear variation of the
scf potential of the vibrational pattern(s) under examination (<font size="4" face="Times New Roman"><span style="color: rgb(17, 17, 17);">∂ Vscf / </span><span style="color: rgb(17, 17, 17);">∂</span><span style="color: rgb(17, 17, 17);">τ_s (r) * e_s * exp(-iq</span></font><font size="4" face="Times New Roman"><span style="color: rgb(17, 17, 17);">τ_s</span></font><font size="4" face="Times New Roman"><span style="color: rgb(17, 17, 17);">))</span></font> on the FFT
grid. When the self consistent calculation for a given
representation is done the code moves to the next one and the file
is overwritten. <br>
</p>
<p>stefano<br>
</p>
<div class="moz-cite-prefix">On 11/05/25 12:08, 半城烟沙 via users
wrote:<br>
</div>
<blockquote type="cite" cite="mid:tencent_78EF803ECF13900B080297C7022CA0F22005@qq.com">
<div><font size="4" face="Times New Roman">Dear,</font></div>
<font size="4" face="Times New Roman">I want to now which matrix
the 'fildvscf' tag will calcualte. The <nk|<span style="color: rgb(17, 17, 17);">∂ Vscf / </span><span style="color: rgb(17, 17, 17);">∂τ |n'k+q> or </span> <nk|<span style="color: rgb(17, 17, 17);">∂ Vscf / </span><span style="color: rgb(17, 17, 17);">∂</span><span style="color: rgb(17, 17, 17);">τ</span><span style="color: rgb(17, 17, 17);"> |n'k+q> * </span>e<span style="color: rgb(17, 17, 17);"> , where </span><span style="color: rgb(17, 17, 17);">τ is atom displacement and </span><span style="color: rgb(17, 17, 17);">e is the eigenvector of
phonon. Anyone can help me?</span><br>
</font>
<div><font size="4" face="Times New Roman">Best regards,</font></div>
<div><font size="4" face="Times New Roman">Jiang</font></div>
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