ZVAL: Difference between revisions
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Revision as of 17:47, 3 March 2019
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.