[Pw_forum] (无主题)

[Paolo Giannozzi]

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:
K_POINTS Gamma
and this is not implemented

P.

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