PHON NSTRUCT: Difference between revisions
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== Related Tags and Sections == | == Related Tags and Sections == | ||
{{TAG|PHON_LMC}}, {{TAG|PHON_LBOSE}}, {{TAG|PHON_NTLIST}}, {{TAG|PHON_TLIST}}, {{TAG|TEBEG} | {{TAG|PHON_LMC}}, {{TAG|PHON_LBOSE}}, {{TAG|PHON_NTLIST}}, {{TAG|PHON_TLIST}}, {{TAG|TEBEG}} | ||
{{sc|PHON_NSTRUCT|Examples|Examples that use this tag}} | {{sc|PHON_NSTRUCT|Examples|Examples that use this tag}} | ||
Revision as of 14:48, 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 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