[Pw_forum] Pwscf archive

[Ali Kachmar]

Dear mailman pwscf archive,

The problem of the gamma_only case not implemented has been reported three times this month and another problem about the routine that recognizes the point group has been also reported in November if I still remember and in January as well. I had for few weeks just till October the messages available  in the Pwscf archive. I've just checked the archive and all the message are there. Thanks for updating the archive yesterday.

Regards,
Ali at LPTMC-UMPC

Sent from my iPhone 

On 2013-01-31, at 9:16 PM, Paolo Giannozzi <giannozz at democritos.it> wrote:

> http://qe-forge.org/pipermail/pw_forum/2013-January/100812.html
> 
> P.
> On Jan 31, 2013, at 20:45 , Darshana Wickramaratne wrote:
> 
>> Hello,
>> 
>> While running a band structure calculation on bulk Silicon, running  
>> bands.x gives me the following error:
>> 
>> taks # 9
>> from bands: error # 1
>> gamma_only case not implemented
>> 
>> The scf and bands calculation using pw.x required prior to the  
>> bands.x calculation run successfully.  This simulation is being run  
>> using Quantum Espresso v.5.0.2 as installed on the TACC Stampede  
>> cluster.
>> 
>> I have run this sample problem on our local cluster using QE v4.3.2  
>> and havent come across this issue.
>> 
>> Below is the input contained in my bands.x file
>> 
>> &BANDS
>> prefix  = 'silicon',
>> filband = 'bands.dat',
>> /
>> 
>> Any help or insight you can provide to help me solve this problem  
>> would be greatly appreciated.
>> 
>> -- 
>> Darshana Wickramaratne
>> PhD Candidate
>> Department of Electrical Engineering, University of California -  
>> Riverside
>> 
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
> 
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
> 
> 
> 
> 
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