LPHON DISPERSION: Difference between revisions

Latest revision as of 09:16, 20 July 2022

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.

@@ Line 1: / Line 1: @@
+{{DISPLAYTITLE:LPHON_DISPERSION}}
 {{TAGDEF|LPHON_DISPERSION|.TRUE. {{!}} .FALSE. }}
 {{DEF|LPHON_DISPERSION|.FALSE.|}}
@@ Line 6: / Line 7: @@
 ----
-After the computation of the force-constants using finite differences ({{TAG|IBRION}}=5,6) or density functional perturbation theory ({{TAG|IBRION}}=7,8) on a supercell it is possible to compute the phonon dispersion for the equivalent primitive cell determined by VASP by setting {{TAG|LPHON_DISPERSION}}=.TRUE.
+After the computation of the force constants using finite differences ({{TAG|IBRION}}=5,6) or density-functional perturbation theory ({{TAG|IBRION}}=7,8) on a supercell it is possible to compute the phonon dispersion for the equivalent primitive cell determined by VASP by setting {{TAG|LPHON_DISPERSION}}=.TRUE.
 {{NB|mind| Only available as of VASP 6.3.2.}}
 ==Related tags and articles==
 {{FILE| QPOINTS}},
-{{TAG | LPHON_DISPERSION}},
 {{TAG | PHON_NWRITE}},
 {{TAG | LPHON_POLAR}},
 {{TAG | PHON_DIELECTRIC}},
 {{TAG | PHON_BORN_CHARGES}},
-{{TAG | PHON_G_CUTOFF}},
+{{TAG | PHON_G_CUTOFF}}
-{{TAG | PHON_DOS}},
-{{TAG | PHON_SIGMA}},
-{{TAG | PHON_NEDOS}}
 {{sc|LPHON_DISPERSION|Examples|Examples that use this tag}}
 [[Category:INCAR tag]][[Category:Phonons]]