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- From: Aldo Humberto Romero <ahromero@bethe.fis.puc.cl>
- To: forum@abinit.org
- Subject: V and Y pseudos
- Date: Thu, 16 Oct 2003 18:08:01 -0300 (CLST)
Dear Abinit users,
I have been trying to do an electronic calculation of YVO4 by using
LDA pseudos but the error in the lattice parameter is more than 7 %.
Does anybody know good pseudos for Y and V?...or at least a reference
that I can look at?
Thanks in advance
-------------------------------------------------------------------------
Dr. Aldo Humberto Romero
IPICyT
Advanced Materials Department
Av. Venustiano Carranza 2425-A,
78270 San Luis Potosi, SLP, Mexico
email: aldo@ipicyt.edu.mx
Phone: (52)-444-8-33-54-11
Fax: (52)-444-8-33-54-12
http://www.ipicyt.edu.mx/
- V and Y pseudos, Aldo Humberto Romero, 10/16/2003
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