[QE-users] band_structure_calculation

[Amin Mirzai]

No, not really... It was QE 6.1 !

anyway it has finally solved, I have just replaced current version with the most recent version that is QE-6.2.1.



Thanks for responses,

With kind regards,

Amin

________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of Lorenzo Paulatto <paulatz at gmail.com>
Sent: Monday, March 5, 2018 5:42:57 PM
To: Quantum Espresso users Forum
Subject: Re: [QE-users] band_structure_calculation

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<mailto: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<mailto:users-bounces at lists.quantum-espresso.org>> on behalf of Giovanni Cantele <giovanni.cantele at spin.cnr.it<mailto: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<mailto: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<mailto:users-bounces at lists.quantum-espresso.org>> on behalf of Paolo Giannozzi <p.giannozzi at gmail.com<mailto: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<mailto: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


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--
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

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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
Web page: http://people.fisica.unina.it/~cantele

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