[Pw_forum] Wavefunction format documentation for PWSCF version 3.0

[Paolo Giannozzi]

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