LPHON DISPERSION: Difference between revisions
| Line 20: | Line 20: | ||
{{TAG | PHON_SIGMA}}, | {{TAG | PHON_SIGMA}}, | ||
{{TAG | PHON_NEDOS}} | {{TAG | PHON_NEDOS}} | ||
{{sc|LPHON_DISPERSION|Examples|Examples that use this tag}} | {{sc|LPHON_DISPERSION|Examples|Examples that use this tag}} | ||
[[Category:INCAR tag]][[Category:Phonons]] | [[Category:INCAR tag]][[Category:Phonons]] | ||
Revision as of 13:51, 19 July 2022
LPHON_DISPERSION = .TRUE. | .FALSE.
| Default: LPHON_DISPERSION | = .FALSE. |
Description: LPHON_DISPERSION requests the calculation of the phonon dispersion along the q-point path supplied in file QPOINTS (same format as KPOINTS).
After the computation of the force-constants using finite differences (IBRION=5,6) or density functional perturbation theory (IBRION=7,8) on a supercell it is possible to compute the phonon dispersion for the equivalent primitive cell determined by VASP by setting LPHON_DISPERSION=.TRUE.
| Mind: Only available as of VASP 6.3.2. |
Related tags and articles
QPOINTS, LPHON_DISPERSION, PHON_NWRITE, LPHON_POLAR, PHON_DIELECTRIC, PHON_BORN_CHARGES, PHON_G_CUTOFF, PHON_DOS, PHON_SIGMA, PHON_NEDOS