Skip to Content.
Sympa Menu

forum - V and Y pseudos

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

V and Y pseudos


Chronological Thread 
  • 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

Archive powered by MHonArc 2.6.16.

Top of Page