Dear Ehsan,
I had the same issue. You just go to
espresso-5.0.2/PP/src/bands.f90.There you swap the lines:
IF (gamma_only) CALL errore('bands','gamma_only case not
implemented',1)
And
CALL read_file()
Then, do configuration and compilation again. It worked for me.
Thanks & Regards,
Ajit
On Tue, Feb 4, 2014 at 2:20 AM, ehsan targholi <targholi at gmail.com> wrote:
> hi
> i want to obtain band structure. i use of this method:
> scf->nscf->bands
> is right my method?
> when i do this way the bands calculation give this error:
>
>
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> Error in routine bands (1):
> gamma_only case not implemented
>
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
> stopping ...
> please help me to solve this problem.
>
> best regard
> ehsan
> graduate student of iust
>
>
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