PHON NSTRUCT

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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

  1. ↑ M. Zacharias and F. Giustino, Phys. Rev. B 94, 075125 (2016).
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