[Pw_forum] about pw2casino

[Gabriele Sclauzero]

Il giorno 05/gen/2011, alle ore 12.02, mohaddeseh abbasnejad ha scritto:

> Dear developers,
>  
> I have a question regarding the pw2casino code.
> I have noticed that when the code tries to extract the coefficients of wave function for a desired k-point,
> the value of the mentioned point differs in the pwfn.data; e.g (1.0   0.0   0.0) ------> ( 0.69   0.0   0.0)

Are you sure they are both expressed in the same units? (e.g., 2\pi/a versus reciprocal lattice vectors)

GS

> I wonder what is the cause?
>  
> Yours,
> M. Abbasnejad
> 
> ---------------------------------------------------------
> 
> 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
> Cellphone: +98 917 731 7514
> E-Mail:     m.abbasnejad at gmail.com
> Website:  http://physics.ut.ac.ir
> 
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§ Gabriele Sclauzero, EPFL SB ITP CSEA
   PH H2 462, Station 3, CH-1015 Lausanne

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