ZVAL: Difference between revisions
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{{TAGDEF|ZVAL|[real]|values read from {{TAG|POTCAR | {{TAGDEF|ZVAL|[real]|values read from {{TAG|POTCAR}}}} | ||
Description: {{TAG|ZVAL}} describes the valency of each atomic sphere. | Description: {{TAG|ZVAL}} describes the valency of each atomic sphere. | ||
Revision as of 11:33, 17 January 2018
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.