Most likely, you need to do the "x lapw1 [-up | -dn]" steps shown in
w2web before running "x lapw2 -qtl [-up | -dn] -so" [
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09896.html
].
On 10/26/2014 5:18 PM, Mohammed Abujafar wrote:
Dear WIEN2k Users,
I have calculated the band structure & electron charge density with
spin orbit coupling(SOC) for ScN compound in RS structure without
errors.When I calculate the DOS with SOC, I got the following:
FERMI - Error
0.045u 0.002s 0:00.04 100.0%0+0k 0+40io 0pf+0w
How can I fix it ?
Thanks a lot for your help.
Mohammed
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