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

최영철 cyc99 at postech.ac.kr
Mon Sep 28 16:06:55 CEST 2009


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?

 

Thank you for the answers.

 

Regards,

Choi.

 

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