[Pw_forum] STOP ERROR reading file header
Eyvaz Isaev
eyvaz_isaev at yahoo.com
Fri Jul 30 16:15:52 CEST 2010
Dear Eli,
First, are you familiar with Fortran? If not, please learn about formatted
input/output.
The stars mean you use more than 9999 k-points that seems to be quite
unreasonable. Use less k-points.
Bests,
Eyvaz.
-------------------------------------------------------------------
Prof. Eyvaz Isaev,
Department of Physics, Chemistry, and Biology (IFM), Linkoping University,
Sweden
Theoretical Physics Department, Moscow State Institute of Steel & Alloys,
Russia,
isaev at ifm.liu.se, eyvaz_isaev at yahoo.com
________________________________
From: Elie Moujaes <elie.moujaes at hotmail.co.uk>
To: pw_forum at pwscf.org
Sent: Fri, July 30, 2010 3:35:46 PM
Subject: [Pw_forum] STOP ERROR reading file header
Dear All, I am doing calculations for the band structure of bilayer graphene in
the presence of an electric field. I reached the stage where the .DAT file was
produced. However when i executed the plotband.x common using
/espresso-4.2/bin/plotband.x and input"ed" the .DAT I got the error:
STOP ERROR reading file header.
When I checked the .DAT file I realized that the header is strange as it
contains four stars (****) and looked like that:
&plot nbnd= 12, nks=**** /
0.000000 0.000000 0.000000
-18.176 -18.014 -6.915 -5.899 -1.571 -1.571 -1.546 -1.546 4.547 5.693
6.616 9.569
0.000000 0.010497 0.000000
-18.174 -18.012 -6.913 -5.896 -1.579 -1.576 -1.554 -1.550 4.550 5.696
6.619 9.571
0.000000 0.020995 0.000000
-18.168 -18.006 -6.905 -5.889 -1.603 -1.589 -1.578 -1.564 4.558 5.704
6.626 9.578
0.000000 0.031492 0.000000
-18.158 -17.997 -6.893 -5.878 -1.643 -1.611 -1.618 -1.586 4.571 5.717
6.639 9.589
0.000000 0.041989 0.000000
...................
I tried to re-execute the bands.x command several times but in vain as the 4
stars re-appeared everytime. Does anyone know why is this occuring and how to
treat it?
Thanks
Elie A. M.
School of physics and astronomy
University of Nottingham
NG7 2RD
UK
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