[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
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