How works nmr.f routine

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egrau

How works nmr.f routine

#1 Post by egrau » Wed Nov 23, 2011 3:03 pm

Hi,

I'm actually trying to perform NMR shielding tensor calculations using VASP 5.2.12
However up to now I do not find the mandatory INCAR keyword.
Therefore I'm looking for some insight on the large amount of keyword use by nmr.F

Thanks
Last edited by egrau on Wed Nov 23, 2011 3:03 pm, edited 1 time in total.

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How works nmr.f routine

#2 Post by admin » Fri Nov 25, 2011 8:36 pm

NMR is not officially included in VASP yet
Last edited by admin on Fri Nov 25, 2011 8:36 pm, edited 1 time in total.

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