ZVAL: Difference between revisions
(Created page with "{{TAGDEF|ZVAL|[real]|values read from {{TAG|POTCAR}}}}} Description: {{TAG|ZVAL}} describes the valency of each atomic sphere. ---- {{TAG|ZVAL}} and {{TAG|POMASS}} determi...") |
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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. | ||
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---- | ---- | ||
{{TAG|ZVAL}} and {{TAG|POMASS}} determine the valency and the atomic mass of each atomic species | {{TAG|ZVAL}} and {{TAG|POMASS}} determine the valency and the atomic mass 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 | == Related tags and articles == | ||
{{TAG|POMASS}} | {{TAG|POMASS}}, {{FILE|POTCAR}} | ||
{{sc|ZVAL|Examples|Examples that use this tag}} | |||
---- | ---- | ||
[[Category:INCAR]] | [[Category:INCAR tag]][[Category:POTCAR tag]][[Category:Projector-augmented-wave method]] | ||
Latest revision as of 15:04, 6 April 2022
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.