[Pw_forum] Can I calculate the NMR shift for metallic system??

[Davide Ceresoli]

On Mon, 28 Sep 2009, 최영철 wrote:

> 
> 1) Can I calculate the NMR shift for metallic system using PWSCF?
> 
> 2) If yes, is the Knight shift also included in the calculations?
> 
> 3) If the Knight shift is not included, is it meaningful to calculate the NMR shift for the metallic systems?
> 
Dear Choi,
     the answer to 1..3 is: no, not yet. But it doesn't take too much to
implement. Are you volunteering? the implementation is explained in PRB
76, 165122.

Davide

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