How to calculate Chemical Shifts

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JohnnyTsien
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How to calculate Chemical Shifts

#1 Post by JohnnyTsien » Thu Mar 31, 2011 7:55 pm

Hi folks,

Can we calculate chemical shifts using VASP?

-Johnny
Last edited by JohnnyTsien on Thu Mar 31, 2011 7:55 pm, edited 1 time in total.
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alex
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How to calculate Chemical Shifts

#2 Post by alex » Fri Apr 01, 2011 6:42 am

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

Cheers,

Alex
Last edited by alex on Fri Apr 01, 2011 6:42 am, edited 1 time in total.
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