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by t.marinheiro
Tue May 21, 2019 1:11 pm
Forum: Response calculations
Topic: GaN phonon (Phonons in Wurtzite structure )
Replies: 1
Views: 1935

GaN phonon (Phonons in Wurtzite structure )

HI, I am having a bit of difficulty analysing the data I obtain from a phonon calculation on Wurtzite GaN gamma_phon.in . When I look at the output file of the full phonon calculation the phonon frequencies (for gamma=0 ) gamma_phon_3t.out do not match the published values. When I look at the result...