GaN phonon (Phonons in Wurtzite structure )
Posted: Tue May 21, 2019 1:11 pm
HI,
I am having a bit of difficulty analysing the data I obtain from a phonon calculation on Wurtzite GaN
. When I look at the output file of the full phonon calculation the phonon frequencies (for gamma=0 )
do not match the published values. When I look at the results with nonanalytic behaviour in different directions (i.e. {0 0 1} and {0 1 0}) I do get values which are similar to the published ones if I use frequencies from both {0 0 1} and {0 1 0} nonanalytic calculation. However when I run a anadbb calculation
I get something which looks nothing like what it should. What should I do when I am performing a phonon calculation on a wurtzite structure, with nonanalicity?
All the best,
Tiago
I am having a bit of difficulty analysing the data I obtain from a phonon calculation on Wurtzite GaN
gamma_phon.in- (2.92 KiB) Downloaded 222 times
- gamma_phon_3t.out
- (220.36 KiB) Downloaded 175 times
- anadbb.in
- (734 Bytes) Downloaded 183 times
All the best,
Tiago