[Pw_forum] Wavefunction format documentation for PWSCF version 3.0

Paolo Giannozzi giannozz at democritos.it
Wed Aug 20 21:01:53 CEST 2008

On Aug 13, 2008, at 17:10 , Steven Kirk wrote:

> I have some old simulation results produced using PWSCF v3.0,
> specifically old input files, .wfc and .chdens files. I need to be  
> able
> to extract the wavefunction information in order to calculate the Bohm
> quantum potential. Is there any documentation for the .wfc file format
> other than the source code itself?

no, but old .wfc files should be still readable, since their format
hasn't really changed and it is still used during execution; but you
have a chance to read them only on machines with the same
representation of floating-point numbers, on the same number
of processors and pools, etc. etc., of the machine that produced
the original data

Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

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