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<p class="MsoNormal"><span style="font-size:11.0pt">Hi All,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">I’d like to know if a noncollinear calculation can be started from a collinear wfc.<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">I always get “Error in routine read_wfc (29): cannot open restart file run/run.save/wfc1 for reading”.<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">I tried a few things like <o:p>
</o:p></span></p>
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<li class="MsoListParagraph" style="margin-left:0cm;mso-list:l0 level1 lfo1"><span style="font-size:11.0pt">nosym=.true. and noinv=.true. in the collinear calculation, to make sure I have the same k-points as in the noncollinear.
<o:p></o:p></span></li><li class="MsoListParagraph" style="margin-left:0cm;mso-list:l0 level1 lfo1"><span style="font-size:11.0pt">Also, I tried NOT using LDA+U as I see that collinear runs need lda_plus_u_kind=0 while noncollinear ones need lda_plus_u_kind=1.
<o:p></o:p></span></li></ol>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">So I thought I’d ask, maybe it’s just not implemented?<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">Thanks in advance,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">Ignacio Martin Alliati<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">PhD candidate, Maths and Physics, Queen’s University Belfast.<o:p></o:p></span></p>
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