[Wien] spin-orbit calculation with mbj
tran at theochem.tuwien.ac.at
tran at theochem.tuwien.ac.at
Sat Jan 29 12:55:17 CET 2011
Hello,
The better solution would be to run first MBJ without SO, and then
to switch on SO.
F. Tran
On Sat, 29 Jan 2011, Francisco Garcia wrote:
> Dear users,
>
> If I want to perform mbj calculations with s.o. interaction do I first
> run mbj followed the s.o. calculation or I first run the usual s.o
> calculations and then switch on mbj.
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