[Thermo_pw-forum] spin orbit Calculation
H.Benaissa
ben_usto at yahoo.fr
Wed Aug 17 15:32:04 CEST 2016
Dear Andrea,
first I would like to thank you for such useful package.
I did some teste
I tried to do a "disp" for a simple structure like RS ZB ... for some materiel with spin orbit effect " noncolin= .TRUE. lspinorb=.TRUE. "
I got an error
Representations per line:
group_in, group_out, representation 30 12 5
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine convert_one_rap_so (1):
problem representation not found
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
ben H.USTO-MB
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