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Difference between revisions of "PHON NSTRUCT"

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(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...")
 
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== Related Tags and Sections ==
 
== Related Tags and Sections ==
{{TAG|PHON_NSTRUCT}}, {{TAG|PHON_LBOSE}}, {{TAG|PHON_NTLIST}}, {{TAG|PHON_TLIST}}
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{{TAG|PHON_NSTRUCT}}, {{TAG|PHON_LBOSE}}, {{TAG|PHON_NTLIST}}, {{TAG|PHON_TLIST}}, {{TAG|TEBEG}
  
 
{{sc|PHON_LMC|Examples|Examples that use this tag}}
 
{{sc|PHON_LMC|Examples|Examples that use this tag}}

Revision as of 13:39, 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, {{TAG|TEBEG}

Examples that use this tag

References