POMASS: Difference between revisions
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{{TAGDEF|POMASS|[real]|values read from {{TAG|POTCAR}}}} | {{TAGDEF|POMASS|[real array]|values read from {{TAG|POTCAR}}}} | ||
Description: {{TAG|POMASS}} describes the mass of each atomic sphere in atomic units. | Description: {{TAG|POMASS}} describes the mass of each atomic sphere in atomic units. | ||
Revision as of 11:42, 6 May 2022
POMASS = [real array]
Default: POMASS = values read from POTCAR
Description: POMASS describes the mass of each atomic sphere in atomic units.
ZVAL and POMASS determine the valency and the atomic mass of each atomic species. It should be omitted usually since the values are read from the POTCAR file. If incompatibilities exist, VASP will stop.