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Re: [abinit-forum] wurtzite lattice optimization


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  • From: "Toby D. Young" <tyoung@ippt.gov.pl>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] wurtzite lattice optimization
  • Date: Sat, 17 Nov 2007 23:01:05 +0100 (CET)



> Also you must make sure that the default value for variables like tolmxf and
> strfact meets your requirement.

Ok PMA, I'm a beginner; so there's something for my thoughts :-)
I'll take another look at the input file.
Thanks again for advice!

Best,
Toby

-----

Toby D. Young - Adiunkt (Assistant Professor)
Department of Computational Science
Institute of Fundamental Technological Research
Polish Academy of Sciences
Room 206, ul. Swietokrzyska 21
00-049 Warszawa, POLAND





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