PHON LBOSE: Difference between revisions

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Description: This flag determines whether random structures in the Monte-Carlo (MC) sampling are created according to Bose-Einstein or Maxwell-Boltzmann statistics.  
Description: This flag determines whether random structures in the Monte-Carlo (MC) sampling are created according to Bose-Einstein or Maxwell-Boltzmann statistics.  
{{Available|6.0.0}}
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This feature is only available from VASP version 6.0 or higher.
For {{TAG|PHON_LBOSE}}=''.TRUE.'' Bose-Einstein statistics is used.
For {{TAG|PHON_LBOSE}}=''.TRUE.'' Bose-Einstein statistics is used.



Latest revision as of 14:28, 17 January 2025

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.

Mind: Available as of VASP 6.0.0

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.

Related tags and articles

PHON_LMC, PHON_NSTRUCT, TEBEG

Examples that use this tag