[Wien] please help

[susanta mohanta]

Dear all,

I have finished spin polarised calculation for Gd(2*2*2 supercell) with Cd
impurity.But When I started with same structure for unpolarised calculation
with RKMAX=7.5:GMAX=14 and 300kpoints(to begin with),the computation
doesn;t seems to converge.After 200 cycle we noticed that both charge and
energy are oscillating.So please help me in this regard.I have also
calculated
unpolarised calculation for pure Gd.So what may be the problem?

with regards
susanta

-- 
SUSANTA K MOHANTA
RESEARCH SCHOLAR
DEPT.OF PHYSICS
IIT KHARAGPUR
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