[QE-users] band_structure_calculation
Amin Mirzai
amin.mirzai at mek.lth.se
Mon Mar 5 16:57:19 CET 2018
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<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
_______________________________________________
users mailing list
users at lists.quantum-espresso.org<mailto: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<mailto: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<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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20180305/7198247f/attachment.html>
More information about the users
mailing list