[QE-users] Phonon calculations with different parallelization

Chirantan Pramanik chirantan.pramanik at weizmann.ac.il
Thu Mar 21 03:45:07 CET 2024


Dear All,

My Phonon calculations provide different frequency values for different parallelization on the cluster especially for the total number of processors used. Is it possible or I am doing something very wrong? As vibrational frequency is gauge invariat how it can be possible?

Thanks,
Chirantan
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