Dear Amin,
I sometimes get problems if I use the quotation marks " instead of '
Regards
Thomas
On 05.03.2018 16:25, Amin Mirzai 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 <[email protected]> on behalf of
Paolo Giannozzi <[email protected]>
*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 <[email protected]
<mailto:[email protected]>> 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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--
Dr. rer. nat. Thomas Brumme
Wilhelm-Ostwald-Institute for Physical and Theoretical Chemistry
Leipzig University
Phillipp-Rosenthal-Strasse 31
04103 Leipzig
Tel: +49 (0)341 97 36456
email: [email protected]
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