- #1
saray1360
- 57
- 1
Hello all,
I have calculated the phonon energies and frequencies in some code for bulk GaAs. Now I want to analyse these frequencies, I do not know which ones are the acoustic ones which are the optical and how I can recognize the LOTO splitting ?? Here is the calculated phonons:
Phonon at Gamma, with non-analyticity in the
direction (cartesian coordinates) 0.00000 0.00000 1.00000
Phonon energies in Hartree :
5.665992E-06 4.014680E-06 8.180712E-06 4.137327E-04 4.137535E-04
1.190558E-03 1.862773E-03 1.862777E-03 2.004961E-03 2.004964E-03
2.515178E-03 2.565316E-03
Phonon frequencies in cm-1 :
- 1.243542E-01 8.811204E-01 1.795459E+00 9.080384E+01 9.080840E+01
- 2.612972E+02 4.088315E+02 4.088322E+02 4.400381E+02 4.400387E+02
- 5.520177E+02 5.630218E+02
regards,
Sara
I have calculated the phonon energies and frequencies in some code for bulk GaAs. Now I want to analyse these frequencies, I do not know which ones are the acoustic ones which are the optical and how I can recognize the LOTO splitting ?? Here is the calculated phonons:
Phonon at Gamma, with non-analyticity in the
direction (cartesian coordinates) 0.00000 0.00000 1.00000
Phonon energies in Hartree :
5.665992E-06 4.014680E-06 8.180712E-06 4.137327E-04 4.137535E-04
1.190558E-03 1.862773E-03 1.862777E-03 2.004961E-03 2.004964E-03
2.515178E-03 2.565316E-03
Phonon frequencies in cm-1 :
- 1.243542E-01 8.811204E-01 1.795459E+00 9.080384E+01 9.080840E+01
- 2.612972E+02 4.088315E+02 4.088322E+02 4.400381E+02 4.400387E+02
- 5.520177E+02 5.630218E+02
regards,
Sara