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.
ABout Phonon and MD calculations using SOC
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Re: ABout Phonon and MD calculations using SOC
Please post your input and output files together with the error messages.