[Pw_forum] Fwd: Error in lambda.x run

Giovanni Cantele giovanni.cantele at spin.cnr.it
Mon Jul 17 16:20:26 CEST 2017


use kpoints.x to generate the SAME grid as the q point grid you used to calculate phonons
(e.g. if in the input of ph.x you used a 4x4x4 grid, that should correspond to a list of 62 inequivalent
points)

Giovanni

> On 17 Jul 2017, at 15:40, Isaiah Moses <imoses87 at gmail.com> wrote:
> 
> Thanks Dr Giovanni,
> Yes I have 36 q points generated using kpoints.x.
> How do I ensure having the same number, 62 q points?
> 
> I really appreciate your assistance.
> 
> Isaiah
> 
> On Mon, Jul 17, 2017 at 2:28 PM, Giovanni Cantele <giovanni.cantele at spin.cnr.it <mailto:giovanni.cantele at spin.cnr.it>> wrote:
> I’m not very sure,
> but after nks=36 the code expects 36 q points, as it is in your input file and inks file names, whereas
> in the input you attached the file names run from elph_dir/elph.inp_lambda.1 to elph_dir/elph.inp_lambda.62
> 
> Giovanni
> 
>> On 17 Jul 2017, at 14:33, Isaiah Moses <imoses87 at gmail.com <mailto:imoses87 at gmail.com>> wrote:
>> 
>> Dear all,
>> Please I need help in running lambda.x executable.
>> I got an error
>> 
>> At line 157 of file lambda.f90 (unit = 5, file = 'stdin')
>> Fortran runtime error: Bad real number in item 1 of list input
>> 
>> My input file is attached.
>> 
>> I shall be delighted to have someone assisting me in resolving this.
>> 
>> I've googled for possible previous comments on such but haven't gotten satisfactory one.
>> 
>> -- 
>> Isaiah Abu Moses
>> Graduate Student,
>> Physics Department,
>> University of Ibadan,
>> Nigeria
>> 
>> 
>> 
>> -- 
>> Isaiah Abu Moses
>> Graduate Student,
>> Physics Department,
>> University of Ibadan,
>> Nigeria
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> -- 
> 
> Giovanni Cantele, PhD
> CNR-SPIN
> c/o Dipartimento di Fisica
> Universita' di Napoli "Federico II"
> Complesso Universitario M. S. Angelo - Ed. 6
> Via Cintia, I-80126, Napoli, Italy
> e-mail: giovanni.cantele at spin.cnr.it <mailto:giovanni.cantele at spin.cnr.it>
> Phone: +39 081 676910
> Skype contact: giocan74
> 
> ResearcherID: http://www.researcherid.com/rid/A-1951-2009 <http://www.researcherid.com/rid/A-1951-2009>
> Web page: http://people.fisica.unina.it/~cantele <http://people.fisica.unina.it/~cantele>
> 
> 
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> 
> 
> 
> -- 
> Isaiah Abu Moses
> Graduate Student,
> Physics Department,
> University of Ibadan,
> Nigeria
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-- 

Giovanni Cantele, PhD
CNR-SPIN
c/o Dipartimento di Fisica
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
e-mail: giovanni.cantele at spin.cnr.it
Phone: +39 081 676910
Skype contact: giocan74

ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: http://people.fisica.unina.it/~cantele

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