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RE : [abinit-forum] about Calcium PAW


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  • From: <Marc.TORRENT@cea.fr>
  • To: <forum@abinit.org>
  • Subject: RE : [abinit-forum] about Calcium PAW
  • Date: Mon, 4 May 2009 18:43:00 +0200

If you tried Ca PAW datset delivered in abinit/tests/Psps_for_tests
directory, there is no guarantee you got the right result.
Such datasets (delivered in Psps_for_tests) are only test datasets (as
indicated by the name of the directory).

Marc Torrent



-------- Message d'origine--------
De: hichem.bouderba@gmail.com [mailto:hichem.bouderba@gmail.com]
Date: lun. 04/05/2009 09:17
À: forum@abinit.org
Objet : [abinit-forum] about Calcium PAW

hello everybody,
there is a Calcium LDA PAW in the abinit package generated with atompaw but I
don't found the input file used to generete it. there is an input file on the
atompaw web site but it doesn't seem to be the good one : it doesn't give the
same results (ex: optimized cell parameter), unless I missed something when
generating the dataset.
thanks.

<<winmail.dat>>




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