[QE-users] band_structure_calculation

[Lorenzo Paulatto]

If it is a very old version, you may have to use &input instead of &bands

-- 
Lorenzo Paulatto
Written on a virtual keyboard with real fingers

On Mon, Mar 5, 2018, 16:57 Amin Mirzai <amin.mirzai at mek.lth.se> wrote:

> This is very strange, I have tried it again by constructing the same thing
> but in a new file... still the same error! maybe there is something wrong
> with the QE version i use...by the way I have already tried the quotation
> marks trick, it is still the same!!!
>
>
> Kind regards,
>
> Amin
> ------------------------------
> *From:* users <users-bounces at lists.quantum-espresso.org> on behalf of
> Giovanni Cantele <giovanni.cantele at spin.cnr.it>
> *Sent:* Monday, March 5, 2018 4:34:44 PM
> *To:* Quantum Espresso users Forum
> *Subject:* Re: [QE-users] band_structure_calculation
>
> unless I did something wrong, your input works for me. Maybe you have some
> hidden special character in the file that has not been pasted in the
> e-mail?
>
> Giovanni
>
> On 5 Mar 2018, at 16:25, Amin Mirzai <amin.mirzai at mek.lth.se> wrote:
>
> i tried it.. I even tried it on different machines with different names,
> with both serial and parallel commands  but still the same error appears !!!
>
>
> Thanks anyway,
>
> Amin
>
> ------------------------------
> *From:* users <users-bounces at lists.quantum-espresso.org> on behalf of
> Paolo Giannozzi <p.giannozzi at gmail.com>
> *Sent:* Monday, March 5, 2018 4:03:13 PM
> *To:* Quantum Espresso users Forum
> *Subject:* Re: [QE-users] band_structure_calculation
>
> There is nothing apparently wrong in your data. Try to remove one by one
> the variables. If running in parallel, try to run on a single processor.
> Try "bands.x -in file-name"
>
> Paolo
>
> On Mon, Mar 5, 2018 at 3:47 PM, Amin Mirzai <amin.mirzai at mek.lth.se>
> wrote:
>
>> Dear QE users,
>>
>> Does anybody have any idea regarding following error:
>>
>>  %%%%%%%%%%%%%
>>      Error in routine bands (1):
>>      reading bands namelist
>>  %%%%%%%%%%%%%%
>> This error occurs while I try to plot band structure of the chosen
>> material. All other calculations (scf and nscf) perform correctly. However,
>> when it comes to bands.x calculation, it fails.
>>
>> here is the input file for the bands.x:
>>
>> &BANDS
>>  prefix = "eu",
>>  outdir = './out',
>>  lsym = .true.,
>>  filband = 'eu.dat'
>>  /
>>
>>
>> With kind regards,
>>
>> Amin Mirzai,
>> PhD candidate
>> Dept. of Maskinteknologi,
>> Lund University,
>>
>> P.O. Box 118,
>> SE-221 00 Lund,
>> Sweden
>>
>>
>> _______________________________________________
>> users mailing list
>> users at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/users
>>
>
>
>
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
> _______________________________________________
> users mailing list
> users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
>
>
> --
>
> 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 <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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> users at lists.quantum-espresso.org
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