[Pw_forum] Gamm-point tricks

[Giuseppe Mattioli]

More specifically, if your pw.x calculation has been performed by  
using K_POINTS (gamma), you should perform an additional calculation  
starting from your converged system, and using

K_POINTS (automatic)
1, 1, 1, 0, 0, 0

HTH

Giuseppe

Giuseppe Mattioli
ISM-CNR
Italy

> Dear Henry,
> you can firstly set k-points automatic in scf input file run, then it will
> help i hope so.
>
> On Sun, Jul 22, 2012 at 5:44 PM, henry odhiambo <henod2001 at yahoo.com> wrote:
>
>> Dear users,
>>
>> I am doing phonon calculation using the code ph.x
>>
>> However, I get the error message bellow:
>>
>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>       from phq_readin : error #         1
>>       cannot start from pw.x data file using Gamma-point tricks
>>
>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>
>> I never experienced this before.
>>
>> Could someone, please, help me identify the problem.
>>
>> Henry Otunga
>> Dept. of Physics
>> Maseno University
>> Kenya
>>
>>
>>
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>>
>
>
> --
> Thanks and Regards
> Bramha Prasad Pandey
> Ph.D Student Indian School of Mines(ISM)
> Dhanbad, INDIA.
>