[Pw_forum] Wavefunction format documentation for PWSCF version 3.0

Steven Kirk Steven.Kirk at hv.se
Wed Aug 13 17:10:02 CEST 2008


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? If so, where can I find it?

Steve Kirk

Dr. Steven R. Kirk           <steven.kirk at hv.se, S.R.Kirk at physics.org>
Dept. of Technology, Mathematics & Computer Science  (P)+46 520 223215
University West                                      (F)+46 520 223299
Trollhattan 461 86 SWEDEN                     http://beacon.webhop.org

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