PHON NSTRUCT: Difference between revisions

From VASP Wiki
(Created page with "{{TAGDEF|PHON_NSTRUCT|[integer]|NONE}} Description: This flag sets the number of structures for electron-phonon interactions from Monte-Carlo (MC) sampling. ---- This featur...")
(No difference)

Revision as of 13:38, 9 April 2019

PHON_NSTRUCT = [integer]
Default: PHON_NSTRUCT = NONE 

Description: This flag sets the number of structures for electron-phonon interactions from Monte-Carlo (MC) sampling.


This feature is only available from VASP version 6.0 or higher.

For PHON_NSTRUCT=0 the ZG configuration[1] (one-shot) method is executed.

For PHON_NSTRUCT>0 that many MC structures are prepared.

For usage of this tag see: Electron-phonon interactions from Monte-Carlo sampling.



Related Tags and Sections

PHON_NSTRUCT, PHON_LBOSE, PHON_NTLIST, PHON_TLIST

Examples that use this tag

References