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
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users