It's done!Thanks very much for your help!
WangJing
wangjingjing at ciac.jl.cn
??2009-12-12
I checked with your struct file.
The problems occur in symmetso because of your monoclinic angle beta.
As temporary fix, just edit case.struct and put beta to 89.9 degree; run
initso; and
afterwards change it back to the desired angle.
Peter Blaha
?? schrieb:
> Dear Prof. Blaha and Wien Users,
Are you using the latest version of WIEN2k ??
Otherwise, we need your struct and inso file to help you.
?? schrieb:
> Dear Prof. Blaha and Wien Users,
>I am doing a spin-polarised calculation including spin-orbit. The GGA
> calculation I run first goes through without any problems, the resul
Dear Prof. Blaha and Wien Users,
I am doing a spin-polarised calculation including spin-orbit. The GGA
calculation I run first goes through without any problems, the results were
saved then, when I try to execute ?initso_lapw? and was asked ?Do you have a
spinpolarized case (and want to run s
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