Dear Paolo Giannozzi,
Thank you for your reply !I have tried your method,it become better !
Best wish!
2014-03-21
yjunwei2012
????Paolo Giannozzi <paolo.giannozzi at uniud.it>
?????2014-03-20 23:33
???Re: [Pw_forum] (???)
????"PWSCF Forum"<pw_forum at pwscf.org>
???
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
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