ZVAL: Difference between revisions
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{{TAG|ZVAL}} | {{TAG|ZVAL}} determines the valency of each atomic species and should be omitted usually since the values are read from the {{TAG|POTCAR}} file. If incompatibilities exist, VASP will stop. | ||
== Related tags and articles == | == Related tags and articles == | ||
Latest revision as of 11:49, 17 October 2024
ZVAL = [real]
Default: ZVAL = values read from POTCAR
Description: ZVAL describes the valency of each atomic sphere.
ZVAL determines the valency of each atomic species and should be omitted usually since the values are read from the POTCAR file. If incompatibilities exist, VASP will stop.