ZVAL

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Revision as of 15:04, 6 April 2022 by Huebsch (talk | contribs)

ZVAL = [real]
Default: ZVAL = values read from POTCAR 

Description: ZVAL describes the valency of each atomic sphere.


ZVAL and POMASS determine the valency and the atomic mass of each atomic species and should be omitted usually since the values are read from the POTCAR file. If incompatibilities exist, VASP will stop.

Related tags and articles

POMASS, POTCAR

Examples that use this tag