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Re: {Spam?} Re: [abinit-forum] equal input leads to different results

From: TORRENT Marc <marc.torrent@cea.fr>
To: forum@abinit.org
Subject: Re: {Spam?} Re: [abinit-forum] equal input leads to different results
Date: Thu, 10 Jul 2008 17:44:16 +0200
Organization: CEA-DAM

That's it.
I found the bug !

Thanks for having notice it...
and reminding me that I had to correct it.

The solution that allows the use of O_GGA_abinit is much more simple than running atompaw....

Just edit the ~abinit/src/13psp/psp7cg.F90

and, line 85, replace "radmesh%lstep" by "radmesh%stepint"... recompile... and that's it.

I will commit it for the 5.5.5 release...

Marc

[abinit-forum] equal input leads to different results, Willy Offermans (WOffermans), 07/09/2008
- Re: [abinit-forum] equal input leads to different results, TORRENT Marc, 07/09/2008
  - Re: [abinit-forum] equal input leads to different results, Willy Offermans, 07/10/2008
    - Re: [abinit-forum] equal input leads to different results, matthieu verstraete, 07/10/2008
      - Re: [abinit-forum] equal input leads to different results, Anglade Pierre-Matthieu, 07/10/2008
        
        {Spam?} Re: [abinit-forum] equal input leads to different results, Willy Offermans, 07/10/2008
        
        Re: {Spam?} Re: [abinit-forum] equal input leads to different results, TORRENT Marc, 07/10/2008
        
        Re: [abinit-forum] equal input leads to different results, Willy Offermans, 07/10/2008
        
        Re: {Spam?} Re: [abinit-forum] equal input leads to different results, TORRENT Marc, 07/10/2008
        
        Re: [abinit-forum] equal input leads to different results, Adam Sorini, 07/10/2008
        
        Re: [abinit-forum] equal input leads to different results, Anglade Pierre-Matthieu, 07/10/2008