The ABINIT Users Mailing List ( CLOSED )

[Wei-Bing Zhang <zwb256@hotmail.com>]

Dear all
     Recently, I perform a calculation trying to obtain the groundstate of BCC
Ni, which has a FM GS. I have tested all pseudopotential(GGA) provided in
abinit website and tests, but all calculations indicate the magnetic moment of
BCC Ni is almost equal to zero( I obtained a magnetic moment about 0.8 (ub) in
case of FCC Ni). However, I perform the calculation using PAW-PBE potential
with vasp code, the calculated magnetic moment is about 0.4 (ub). And  I also
using abinit to perform a PAW calculation, the magnetic moment  is about 0.3
(ub).  Why PAW method can give a non-zero magnetic moment whereas the
pseudopotential method cannot? What kinds of pseudopotential is suitable to
perform the spin-polarized of FM system using Abinit? Thanks 

Wei-Bing Zhang
zwb256@hotmail.com