[Pw_forum] similar to :cpmd2cube.x -halfmesh -psi WAVEFUNCTION.2

Paolo Giannozzi giannozz at democritos.it
Sat Feb 16 21:19:35 CET 2013


On Feb 16, 2013, at 15:06 , nazari at iasbs.ac.ir wrote:

> I know the command for producing cube including Rho (PP). Would you  
> please let me know how can I get the wave function in cube format.
>

quite in the same way:  CP/PW run => pp.x => cube file.
See PP/Doc/INPUT_PP.*

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222







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