LPHON DISPERSION: Difference between revisions
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{{DISPLAYTITLE:LPHON_DISPERSION}} | |||
{{TAGDEF|LPHON_DISPERSION|.TRUE. {{!}} .FALSE. }} | {{TAGDEF|LPHON_DISPERSION|.TRUE. {{!}} .FALSE. }} | ||
{{DEF|LPHON_DISPERSION|.FALSE.|}} | {{DEF|LPHON_DISPERSION|.FALSE.|}} | ||
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{{TAG | PHON_DIELECTRIC}}, | {{TAG | PHON_DIELECTRIC}}, | ||
{{TAG | PHON_BORN_CHARGES}}, | {{TAG | PHON_BORN_CHARGES}}, | ||
{{TAG | PHON_G_CUTOFF | {{TAG | PHON_G_CUTOFF}} | ||
{{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 08:25, 20 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