My Community • How to calculate Chemical Shifts

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How to calculate Chemical Shifts

Posted: Thu Mar 31, 2011 7:55 pm

by JohnnyTsien

Hi folks,

Can we calculate chemical shifts using VASP?

-Johnny

How to calculate Chemical Shifts

Posted: Fri Apr 01, 2011 6:42 am

by alex

Not at all. Use CPMD instead ... :-(

Cheers,

Alex