[Pw_forum] pw2casino.x

[mohaddeseh abbasnejad]

Dear Gabriele,

Thank you so much.
I have another question too.
If I use the simplest input file as follows,

&inputpp
    prefix = 'silicon',
    outdir = '/home/mohaddeseh/tmp/'
 /

 the output is as follows and doesn't contain any information
 about Geometry, G vectors and so on.

     Program POST-PROC v.4.1CVS starts ...
     Today is  9Feb2009 at 20:11:23

     Writing file pwfn.data for program CASINO
 Kinetic energy      3.01269703220284
 Local energy       -2.26291401756337
 Non-Local energy    1.61122312220330
 Ewald energy       -8.34402473115134
 xc contribution    -2.37920332238950
 hartree energy     0.525427024055568
 Total energy       -7.83679489264251

Would you please make a comment?

Best wishes,
Mohaddeseh

-- 
--------------------------------------------------------------------------------

Mohaddeseh Abbasnejad,
Room No. 323, Department of Physics,
University of Tehran, North Karegar Ave.,
Tehran, P.O. Box: 14395-547- IRAN
Tel. No.: +98 21 6111 8634  & Fax No.: +98 21 8800 4781
E-Mail:     m.abbasnejad at gmail.com
Website:  http://physics.ut.ac.ir

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