[Pw_forum] pw2casino.x

[Gabriele Sclauzero]

mohaddeseh abbasnejad wrote:
> 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.

Why should it? Maybe it was not programmed in order to do that...
I guess that since pw2casino.x should read the restart files produced by pw.x (i.e. those 
in /home/mohaddeseh/tmp/silicon.save), you can get information about the geometry from the 
output of pw.x run which produced those restart files (or from the restart files 
themselves, which are not all human readable anyway).

GS


> 
>      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 <mailto:m.abbasnejad at gmail.com>
> Website:  http://physics.ut.ac.ir
> 
> --------------------------------------------------------------------------------
> 
> 
> 
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| Gabriele Sclauzero, PhD Student                  |
| c/o:   SISSA & CNR-INFM Democritos,              |
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