[QE-users] Different results for charged cluster in PHonon 5.1 and 7.2

RABONE Jeremy jeremy.rabone at get.omp.eu
Wed Feb 14 11:14:33 CET 2024


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
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