[Pw_forum] (无主题)

Paolo Giannozzi paolo.giannozzi at uniud.it
Thu Mar 20 16:33:01 CET 2014

On Thu, 2014-03-20 at 20:28 +0800, yjunwei2012 wrote:

>      Error in routine bands (1):
>      gamma_only case not implemented
> I have tried to install the espresso-5.0.2-5.0.3.diff, and displaced
> the /PP/scr/bands.f90 file
> "IF (gamma_only) CALL errore('bands','gamma_only case not
> implemented',1)" after the line "CALL read_file()",
> but in vain.

...and recompiled as well? then you are trying to plot data produced
using Gamma-only tricks, i.e. using for k-points the following card:
and this is not implemented


Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222 

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