SOC-SHG

[sunxl]

Dear all,

1、Could Yambo be used to calculate the SHG of a magnetic system with open SOC (spin-orbit coupling) that includes exciton effects?

2、If possible, after turning on the SOC switch in the self-consistent and non-self-consistent cases of QE, will the remaining calculation steps be the same as those for non-magnetic systems? By changing the spin direction, such as spin+ and spin-, the values of Xodd and Xeven were calculated？

I appreciate any guidance and tutorial on that!
Best,
sunxl

[claudio]

Dear sunxl

yes the non-linear part works with SOC, and all the steps remain the same.

(but it does not work with metallic systems)

best
Claudio