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Re: [abinit-forum] PAW


Chronological Thread 
  • From: "Nuno A. G. Bandeira" <nuno.bandeira@ist.utl.pt>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] PAW
  • Date: Tue, 14 Mar 2006 12:46:09 +0000

Decreased npulayit and used iscf=17 and iscf=4. None of them helped. The program still crashes.


--
Nuno A. G. Bandeira, AMRSC
Graduate researcher and molecular sculptor
Inorganic and Theoretical Chemistry Group,
Faculty of Science
University of Lisbon - C8 building, Campo Grande,
1749-016 Lisbon,Portugal
http://cqb.fc.ul.pt/intheochem/nuno.html
Doctoral student @ IST,Lisbon
--



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