[Thermo_pw-forum] spin orbit Calculation

[Andrea Dal Corso]

Thank you for reporting the bug. I have corrected it in 
commit 340067. Please apply the same changes to the file
src/plotband_sub.f90
or wait for the next release of thermo_pw that will appear soon.

Andrea


On Wed, 2016-08-17 at 13:32 +0000, H.Benaissa wrote:
> 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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-- 
Andrea Dal Corso                    Tel. 0039-040-3787428
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