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Re: Whether the PAW Potential (Platinum) I generate can be used for prediction or not


Chronological Thread 
  • From: marc.torrent@cea.fr
  • To: forum@abinit.org
  • Subject: Re: Whether the PAW Potential (Platinum) I generate can be used for prediction or not
  • Date: Wed, 16 May 2007 13:31:07 +0200

Dear Zhenhua Zeng,

1- Did you use the last version of uspp2abinit, i.e. 2.1.4, available for one
week on Abinit's web site ?

2- paw2 tutorial is a bit old and should be updated; I'm currently working on
it.

3- If you choose to generate your own atomic data, I would suggest the use of
the other generator, i.e. atompaw+atompaw2abinit ; it is easier to use,
especially "from scratch"... You can find on atompaw2abinit web page
(http://www.abinit.org/PAW/AtomPAW2Abinit-Manual-html/AtomPAW2Abinit.htm) a
detailled user's guide, which can be considered as a tutorial (see "Advice
for use" chapter).


Marc Torrent
CEA-Bruyeres-le-Chatel
France



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