[Wien] spin-orbit calculation with mbj

2011-01-29 Thread Francisco Garcia
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.

[Wien] spin-orbit calculation with mbj

2011-01-29 Thread t...@theochem.tuwien.ac.at
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