[Wien] error in lapw2

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.be
Tue Jan 8 08:35:45 CET 2008


> It does give out the EFG results. It's so fast because I am just   
> trying a very simple example, Indium. To calculate the EFG, can I   
> just run lapw2 alone or do I need run SCF first? Thank you for your   
> help.

Of course you have to do the scf cycle first. This is like asking: in  
order to wake up in the morning, do I have to fall asleep first? ;-)

Stefaan


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