[Pw_forum] r mesh for u(i,k,G)

2012-12-15 Thread naz...@iasbs.ac.ir



Dear All,
I would like to obtain the
wave-function coefficients u(i,k,G),It was already answered that these
coefficients are stored in wfc (For example in the following form).
I would like to obtain the r mesh for
each row of these data in order to construct the psi ( r).

?



?

9.923804753069295E-001, 0.000E+000

?

-1.370373698479858E-002,-7.528719895341745E-007

?

-1.370667926113648E-002, 3.548258344602723E-006

?

-1.370876780409445E-002,-5.498129996363651E-007
regards
Fariba Nazari
IASBS
??


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[Pw_forum] r mesh for u(i,k,G)

2012-12-15 Thread Stefano Baroni
Dear Fariba: pp.x does it

http://www.democritos.it/pipermail/pw_forum/2008-February/008350.html

If what is already implemented suits your needs, use it. If it doesn't just
look into that code and see how it is done.

HTH - SB - SISSA, Trieste

---
Stefano Baroni - swift message sent on the go: pardon my brevity
On Dec 15, 2012 7:13 AM,  wrote:

> Dear All,
> I would like to obtain the wave-function coefficients u(i,k,G),It was
> already answered that these coefficients are stored in wfc (For example in
> the following form). I would like to obtain the r mesh for each row of
> these data in order to construct the psi ( r).
>
>
>
> 
>
>
>
> 9.923804753069295E-001, 0.000E+000
>
>
>
> -1.370373698479858E-002,-7.528719895341745E-007
>
>
>
> -1.370667926113648E-002, 3.548258344602723E-006
>
>
>
> -1.370876780409445E-002,-5.498129996363651E-007
> regards
> Fariba Nazari
> IASBS
>
>
>
>
>
>
>
> --
> This message has been scanned for viruses and
> dangerous content by *MailScanner* <http://www.mailscanner.info/>, and is
> believed to be clean.
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> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
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