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<p><font face="Times New Roman">Refer to the post at:</font></p>
<p><font face="Times New Roman"><a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg11451.html">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg11451.html</a><br>
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<div class="moz-cite-prefix">On 8/12/2017 7:13 AM, Walayat Khan
wrote:<br>
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cite="mid:CA+_Bk29Vyi81OURk=cN5Aud+vjY3BxXdOdqK7TZxVnZRBXzZAQ@mail.gmail.com">
<pre wrap="">Dear Prof. Blaha and colleagues
I the user of WIEN2k. Now, I am doing SO coupling calculation on GeTe,
but in the first cycle I got error like
'FERMI' - EFERMI OUT OF ENERGY RANGE
'FERMI' - STOP IN EFI
'FERMI' - ENERGY OF LOWER BOUND : 1.79413
'FERMI' - NUMBER OF STATES AT THE LOWER BOUND : 87.46042
'FERMI' - ENERGY OF UPPER BOUND : 1.79413
'FERMI' - NUMBER OF STATES AT THE UPPER BOUND : 87.46050
'FERMI' - ADD 86.36690
'FERMI' - SOS 0.0000.0000.0000.0000.0000.0000.0000.0000.0000.000
'FERMI' - NOS **************************************************
** testerror: Error in Parallel LAPW2
and the structure which I used is Hexagonal
RMT of: Ge: 2.00 and Te= 1.99 (Note: these are automatically accepted radii)
with best regard
wilayat
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