Thank you very much for your solution. On Mon, Jan 26, 2015 at 3:19 PM, Andrea Dal Corso <[email protected]> wrote:
> The problem is k point 89 > > 0.3333300000 0.3333300000 0.0000000000 1.0 > > It is very close to a high symmetry point, but it is not the high > symmetry point > > 0.33333333333 0.33333333333 0.0000000000 1.0 > > and this confuses the routine of QE that finds the small group of k. > It finds the identity and one rotation of 120, but it misses the other > rotation. > > In your case the solution is to give the k points with more digits. > > > HTH, > > Andrea > > On Sun, 2015-01-25 at 13:17 +0600, Khalid Ibne Masood Khalid wrote: > > Dear Sir, > > I have attached my example here. I have attached only the bash script > file > > and the erroneous output file. You need to edit the script file a little > > bit if you wish to run the file. > > > > Thank you > > > > On Sat, Jan 24, 2015 at 9:19 PM, Paolo Giannozzi < > [email protected]> > > wrote: > > > > > On Sat, 2015-01-24 at 00:09 +0600, Khalid Ibne Masood Khalid wrote: > > > > I am using Quantum Espresso 5.1.1 in ubuntu 13.04 > > > > > > then please provide an example that produces the error you mention > > > and that can be easily run > > > > > > Paolo > > > > > > > > > > > > Thank you > > > > > > > > > > > > Khalid Ibne Masood > > > > M.Sc student > > > > Bangladesh University of Engineering and Technology (BUET) > > > > > > > > On Sat, Jan 24, 2015 at 12:03 AM, Paolo Giannozzi > > > > <[email protected]> wrote: > > > > On Fri, 2015-01-23 at 23:30 +0600, Khalid Ibne Masood Khalid > > > > wrote: > > > > > > > > > > > > > I am having a problem with bands.x > > > > > > > > version? > > > > > > > > -- > > > > Paolo Giannozzi, Dept. Chemistry&Physics&Environment, > > > > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > > > > Phone +39-0432-558216, fax +39-0432-558222 > > > > > > > > _______________________________________________ > > > > Pw_forum mailing list > > > > [email protected] > > > > http://pwscf.org/mailman/listinfo/pw_forum > > > > > > > > > > > > _______________________________________________ > > > > Pw_forum mailing list > > > > [email protected] > > > > http://pwscf.org/mailman/listinfo/pw_forum > > > > > > > > > _______________________________________________ > > > Pw_forum mailing list > > > [email protected] > > > http://pwscf.org/mailman/listinfo/pw_forum > > > > > _______________________________________________ > > Pw_forum mailing list > > [email protected] > > http://pwscf.org/mailman/listinfo/pw_forum > > -- > Andrea Dal Corso Tel. 0039-040-3787428 > SISSA, Via Bonomea 265 Fax. 0039-040-3787249 > I-34136 Trieste (Italy) e-mail: [email protected] > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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