What errors ???
I just tried it and it works.
For spin-pol. case You may have to copy case.outputso to case.output1up
On 06/22/2016 07:23 PM, Jyoti Krishna wrote:
Hello Prof. Blaha ,
Could you please suggest me that in Wien2k, how can I get Fermi surface plot in
Xcrysden by taking spin-orbit (SO) and ORB into consideration?
As read from the previous archives, I had done Fermi surface plot for GGA+U+SO
by first doing cp case.outputso case.output1 .
But, its still showing erroneous results. Is there any other method?
Thanks
Jyoti Krishna
Research Scholar
Department of Physics
Indian Institute of Technology Roorkee,
Roorkee,
Uttrakhand.
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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