[QE-users] NMR of Metallic Systems

[Davide Ceresoli]

Dear Megan,
the orbital shift is implemented, the Knight shift no. I can't
get it to converge with respect to k-points.

Best,
Davide


On 11/22/23 19:51, Megan Burrill wrote:
> Hi,
> 
> This is a question which has been asked in years previously, but I did not find 
> any recent answers. I am interested in NMR simulations using GIPAW of a metallic 
> system, and was wondering if that has been implemented in Quantum Espresso. I 
> appreciate any updates as to the status of metallic systems and the knight shift.
> 
> Thank you,
> Megan Burrill