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<p class="MsoNormal"><span style="font-size:11.0pt">Dear Developers,<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 was having similar problems to what is described in the mail below:<o:p></o:p></span></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><a href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07758.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07758.html</a><o:p></o:p></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">Basically, when I do initso_lapw, and wanted to use the new structure for SO calculations, the case.in2c file was causing the lapw2 to crash. I did realize that the reason is because the case.in2c file is
not taking the GMAX value from case.in2 at all. I had to manually enter it myself into case.in2c after initso_lapw is done. I want to emphasize it again: case.in2c does not have the GMAX at the last row only when you accept the new structure for SO calculations.
<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">The question I would have at this point is: Will I need to manually fix the case.in2c from this point on, or is there a patch I can use to fix this issue once and for all. I also want to add that this particular
problem does not occur in the older versions.<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">Best,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">Ucar<o:p></o:p></span></p>
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