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Re: [abinit-forum] question about ixc=2


Chronological Thread 
  • From: Matthieu Verstraete <mjv500@york.ac.uk>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] question about ixc=2
  • Date: Fri, 28 Sep 2007 19:09:27 +0100 (BST)


All the LDA approximations are essentially the same, and fit the same QMC data (well, almost all). There are many more differences between the GGA parametrizations (PZ 91 vs PBE). Only ixc 1 and 7 LDAs are routinely used in abinit, but you may want to play around with 2 for your own purposes.

Matthieu

--
================================================================
Dr. Matthieu Verstraete mailto:mjv500@york.ac.uk
Dept. of Physics, University of York, tel: +44 1904 43 22 08
Heslington, YO10 5DD York, United Kingdom fax: +44 1904 43 22 14



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