PHON NSTRUCT

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 (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.

Related Tags and Sections

PHON_LMC, PHON_LBOSE, PHON_NTLIST, PHON_TLIST, TEBEG

Examples that use this tag

---