[Pw_forum] I can't print my bands
Pieremanuele Canepa
pc229 at kent.ac.uk
Mon Mar 23 20:07:24 CET 2009
Dear all,
I am attempting to figure out how to print out a bands graph of my AFM
hematite.
Then I prepared the file band.in as explained in /Doc/INPUT_Band
and I attached it down here
&INPUTPP
prefix='band_BLYP',
outdir='/home/pc229/backup/
Counts/PWscf/Fe2O3_bulk/PWSCF/Fe2O3_bulk/opt_bulk_BLYP/',
filband='band_BLYP.out',
/
if try to run it using bands.x I will get in my output file the following
error:
Program POST-PROC v.4.0.4 starts ...
Today is 23Mar2009 at 18:56:50
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from bands : error # 1
The bands code with constrained magnetization has not been tested
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
So, what I am suppose to do ? How can I print my bands??
Thank you, Piero
--
Pieremanuele Canepa
Room 230
School of Physical Sciences, Ingram Building,
University of Kent, Canterbury, Kent,
CT2 7NH
United Kingdom
--------------------------------------------------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090323/bf3307f4/attachment.html>
More information about the users
mailing list