[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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