I have done the calculations using a K_PONTS automatic
20 20 1 0 0 0
for the scf calculation and a K_POINTS automatic
64 64 1 0 0 0
and I got almost the right DOS but only for -ve values of energy. Nothing was
produced for the +ve part. Is it because I need to include more points? like
trying the 128 128 1 0 0 0 grid? N.B: I did specify that Emin=-7 and Emax=7 in
the inout pp file..
Regards
ELie Mouhaes
University of Nottingham
NG7 2RD
Nottingham
UK
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