ABout Phonon and MD calculations using SOC

Question on input files/tags, interpreting output, etc.

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alok_shukla1
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ABout Phonon and MD calculations using SOC

#1 Post by alok_shukla1 » 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.

ferenc_karsai
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Re: ABout Phonon and MD calculations using SOC

#2 Post by ferenc_karsai » Fri Sep 23, 2022 1:43 pm

Please post your input and output files together with the error messages.

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