[Pw_forum] nmr chemical shift

[Tiana Davide]

Dear all,


I am calculating some nmr spectra using Gipaw.

Since I've never done for solid state (namely periodic bulk) I was wondering how can I calculate the chemical shift?

 Is the reference still TMS?

if yes do I need to somehow find the TMS crystal structure or can I simply run a single molecule TMS?

if not how can I do it?


Cheers

Davide
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