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
How works nmr.f routine
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How works nmr.f routine
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
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.