Downloads

These files can be used as input file for the code GULP.

• CdS_phonon.gin (gin)
• CdSe_phonon.gin  (gin)
• CdTe_phonon.gin (gin)
• ZnS_phonon.gin (gin)
• ZnSe_phonon.gin (gin)
• ZnTe_phonon.gin (gin)

Input files for the potentials described in the paper:
Peng and Bester, Phys. Rev. B 83 174304 (2011)

• journal link
• local copy (PDF)

These files can be used as input file for the code GULP.

• GaAs_elastic.gin (gin)
• GaAs_phonon.gin (gin)
• GaP_elastic.gin (gin)
• GaP_phonon.gin (gin)
• InAs_elastic.gin (gin)
• InAs_phonon.gin (gin)
• InP_elastic.gin (gin)
• InP_phonon.gin (gin)

These pseudopotentials are described in
R. Cardenas and G. Bester
Atomic effective pseudopotentials for semiconductors
Phys. Rev. B 86 115332 (2012). (journal link, local copy (PDF))

Atomic effective pseudopotentials for use with LATEPP.

A. Molina-Sanchez, A. Garcia-Cristobal and G. Bester
Semiempirical pseudopotential approach for nitride-based nanostructures and ab initio based passivation of free surfaces
Phys. Rev. B 86, 205430 (2012).

Passivant H attached to Ga in GaN (txt)
Passivant H attached to N in GaN (txt)
Non local Ga potential (txt)
Non local N potential (txt)
Local pseudopotential for Ga (txt)
Local pseudopotential for N (txt)

Supplementary data and information described in the publication:
Carl Emil Mørch Nielsen, Miguel da Cruz, Abderrezak Torche, and Gabriel Bester
Phys. Rev. B 108, 045402 (2023) (journal link)

Codes and inputs for Zero-Point Motion effect calculations are:

• ZPM_src.zip
• atompos_and_inputfiles.zip