[Pw_forum] WFC file record format

[Axel Kohlmeyer]

On Wed, 7 Jan 2009, Vidur Parkash wrote:

VP> Hello Everyone
VP> 

vidur,

VP> I need to extract wavefunctions dumped into the wfc file by 
VP> espresso. Can anybody tell me how records in the wfc file are 
VP> organized. A structure declaration from the source code would be 
VP> useful.

wouldn't it be easier to just add whatever manipulation/analysis 
you want to do to the already existing postprocessing software 
(directory PP)? this way you don't have to worry about the format
on disk and avoid code duplication and having to play catchup
whenever the format changes...

cheers,
   axel.

VP> 
VP> Vidur Parkash, 
VP> 
VP> MultiScale Technologies Institute
VP> Electrical & Computer Engineering
VP> Michigan Technological University
VP> 716 EERC, 1400 Townsend Drive
VP> Houghton, MI-49931, USA
VP> Tel: 1-906-487-0023
VP> 
VP> _______________________________________________
VP> Pw_forum mailing list
VP> Pw_forum at pwscf.org
VP> http://www.democritos.it/mailman/listinfo/pw_forum
VP> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.