[QE-users] Regarding work function calculation

mohaddeseh abbasnejad m.abbasnejad at gmail.com
Fri May 18 19:03:29 CEST 2018


Dear users,

Hello to every one.
I am trying to calculate the work function.
After doing scf calculation successfully, I did pp.x with the
following input file:

   &inputpp
    prefix='Al100',
    outdir='/home/mohaddeseh/tmp',
plot_num=11
filplot='Al100.pot',
/

&plot
iflag=3,
output_format=3
/

Then, I tried to do average.x using the following input file:

1
Al100.pot
1.D0
1440
3
3.835000000

However, the program crashes and it gives such an error:

 task #         0
  4      from average  : error #         1
  5      nfile is wrong

I was wondering if you would help me resolving the problem.
Thanks in advance.

Regards,
Mohaddeseh
-- 
---------------------------------------------------------

Mohaddeseh Abbasnejad,
Assistant Professor of Physics,
Faculty of Physics,
Shahid Bahonar University of Kerman,
Kerman, Iran
P.O. Box 76169-133
Tel: +98 34 31322199
Fax: +98 34 33257434
Cellphone: +98 917 731 7514
E-Mail:     m.abbasnejad at gmail.com
Website:  academicstaff.uk.ac.ir/moabbasnejad

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