[Pw_forum] gamma_only case not implemented error in bands.x
dwick004 at ucr.edu
Thu Jan 31 22:05:37 CET 2013
Thanks for your help.
On Thu, Jan 31, 2013 at 12:21 PM, Ali KACHMAR <kachmar_ali at hotmail.fr>wrote:
> This question has been submitted recently to the forum. You'll find below
> an answer to this problem.
> Best regards,
> > From: giannozz at democritos.it
> > To: pw_forum at pwscf.org
> > Date: Tue, 22 Jan 2013 16:10:54 +0100
> > Subject: Re: [Pw_forum] Error in routine bands (1): gamma_only case not
> > On Tue, 2013-01-22 at 03:41 -0800, zafar rasheed wrote:
> > >
> > > Program BANDS v.5.0.2 (svn rev. 9392) starts on 22Jan2013 at 11:25:29
> > > [..]
> > > Error in routine bands (1):
> > > gamma_only case not implemented
> > it's a known problem: see here
> > http://qe-forge.org/pipermail/pw_forum/2013-January/100812.html
> > P.
> > --
> > Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
> Date: Thu, 31 Jan 2013 11:45:14 -0800
> From: dwick004 at ucr.edu
> To: pw_forum at pwscf.org
> Subject: [Pw_forum] gamma_only case not implemented error in bands.x
> 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
> 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
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Department of Electrical Engineering, University of California - Riverside
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