PHON LBOSE: Difference between revisions
No edit summary |
No edit summary |
||
| Line 22: | Line 22: | ||
---- | ---- | ||
[[Category:INCAR | [[Category:INCAR tag]][[Category:Lattice Vibrations]][[Category:Electron-phonon interactions]][[Category:VASP6]] | ||
Revision as of 06:51, 7 April 2022
PHON_LBOSE = [logical]
Default: PHON_LBOSE = .TRUE.
Description: This flag determines whether random structures in the Monte-Carlo (MC) sampling are created according to Bose-Einstein or Maxwell-Boltzmann statistics.
This feature is only available from VASP version 6.0 or higher.
For PHON_LBOSE=.TRUE. Bose-Einstein statistics is used.
For PHON_LBOSE=.FALSE. Maxwell-Boltzmann statistics is used.
For further usage of this tag see: Electron-phonon interactions from Monte-Carlo sampling.
Important: This tag does not work together with PHON_NSTRUCT=0.