FMP_ACTIVE

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Revision as of 10:12, 18 December 2024 by Jona (talk | contribs) (Created page with "{{DISPLAYTITLE:FMP_ACTIVE}} {{TAGDEF|FMP_ACTIVE|logical (aray)}} {{DEF|FMP_ACTIVE|NIONS * False|}} Description: Select which atom types in the {{FILE|POSCAR}}-file participate in swapping within the Müller-Plathe method. ----- {{TAG|FMP_ACTIVE}} specifies whether or not (.TRUE. or .FALSE., respectively) an atomic type allowed for swapping within the Müller-Plathe method. One item for each of the atomic types defined in {{FILE|POSCAR}} must be supplied. {{NB|...")
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FMP_ACTIVE = logical (aray) 

Default: FMP_ACTIVE = NIONS * False

Description: Select which atom types in the POSCAR-file participate in swapping within the Müller-Plathe method.

FMP_ACTIVE specifies whether or not (.TRUE. or .FALSE., respectively) an atomic type allowed for swapping within the Müller-Plathe method. One item for each of the atomic types defined in POSCAR must be supplied.

Mind: This tag will only be available from VASP 6.4.4

Related tags and articles

Müller-Plathe method, FMP_DIRECTION, FMP_SNUMBER, FMP_SWAPNUM, FMP_PERIOD

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