ABout Phonon and MD calculations using SOC
Posted: Wed Sep 21, 2022 2:23 pm
Dear Experts,
I have one question about Phonon and MD calculations with SOC.
Is this possible with SOC, one can perform Phonon and MD calculations?
Without SOC tags, I am able to perform both calculations, but with SOC, I am not.
Please suggest.
Thanks.
I have one question about Phonon and MD calculations with SOC.
Is this possible with SOC, one can perform Phonon and MD calculations?
Without SOC tags, I am able to perform both calculations, but with SOC, I am not.
Please suggest.
Thanks.