[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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