PHON NSTRUCT: Difference between revisions
No edit summary |
|||
| Line 14: | Line 14: | ||
== Related tags and articles == | == Related tags and articles == | ||
[[Electron-phonon interactions from Monte-Carlo sampling]], {{TAG|PHON_LMC}}, {{TAG|PHON_LBOSE | [[Electron-phonon interactions from Monte-Carlo sampling]], {{TAG|PHON_LMC}}, {{TAG|PHON_LBOSE}}, {{TAG|PHON_TLIST}}, {{TAG|TEBEG}} | ||
{{sc|PHON_NSTRUCT|Examples|Examples that use this tag}} | {{sc|PHON_NSTRUCT|Examples|Examples that use this tag}} | ||
Latest revision as of 12:40, 26 January 2026
PHON_NSTRUCT = [integer]
Default: PHON_NSTRUCT = none
Description: Sets the number of structures for electron-phonon interactions from Monte-Carlo (MC) sampling.
For PHON_NSTRUCT=-1 the eigenvalues and eigenvectors of the dynamic matrix are written to the file DYNMATFULL.
For PHON_NSTRUCT=0 the ZG configuration[1] (one-shot) method is executed.
For PHON_NSTRUCT>0 that many MC structures are prepared.
For further usage of this tag see: Electron-phonon interactions from Monte-Carlo sampling.
| Mind: This feature is available for VASP >= 6.0. |
Related tags and articles
Electron-phonon interactions from Monte-Carlo sampling, PHON_LMC, PHON_LBOSE, PHON_TLIST, TEBEG