LPHON DISPERSION: Difference between revisions

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{{sc|LPHON_DISPERSION|Examples|Examples that use this tag}}
{{sc|LPHON_DISPERSION|Examples|Examples that use this tag}}
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[[Category:INCAR tag]][[Category:Phonons]]
[[Category:INCAR tag]][[Category:Phonons]]

Revision as of 13:50, 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


Examples that use this tag