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[James Raynolds <JRaynolds@uamail.albany.edu>]

        Try GGA.

-----Original Message-----
From: homegchiche@yahoo.fr [mailto:homegchiche@yahoo.fr]
Sent: Wednesday, June 04, 2003 4:32 AM
To: forum@abinit.org
Subject: [abinit-forum] acell parameter and magnetisation of Nickel


dear users of Abinit,
Actualy I'm trying to studies the physicals properties of nickel using
abinit code with LDA pseudopotential generated with the FHI98. the result of
my calculation for the acell is 6.36 a.u  experimental is 6.65 a.u the
precison is 4% wicth not tolerable!! and 0.52U.B, the experimental is 0.60
U.B.
If any one can help me in pseudopotential ( the cut-off radius for s, p, d
and the radius of core correction to use to generate the pseudopotential)
and also what orbital we take as local?
Thanks.