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