[Wien] request_pl.
Dr.R.K.Thapa
rktt at sancharnet.in
Mon Mar 16 02:59:55 CET 2009
Dear Wien users,
(1)After changing the value of U in LDA+U calculations, does one need
to again run the SCF. I am not making any changes in the .struct file or
k values or other parameters at all.
(2) In .inorb/.indm files, what will be the values of l and li in the
case of NiO, for example. I am slightly confused with these.
Thanking you in advance,
Regards,
R.K.Thapa
Physics Dept.
Mizoram University,
INDIA
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