Hello,
I have re-run a Phonon calculation for a charged cluster that was done using version 5.1 with version 7.2 and the results are completely different; there is a large positive shift in the frequencies. Can somebody tell me what was done differently in 5.1 for charged cells ? Kind regards, Jeremy Rabone
_______________________________________________ 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
