ZVAL: Difference between revisions

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{{TAGDEF|ZVAL|[real]|values read from {{TAG|POTCAR}}}}
{{TAGDEF|ZVAL|[real]}}


Description: {{TAG|ZVAL}} describes the valency of each atomic sphere.
Description: {{TAG|ZVAL}} states the valency of the pseudopotential.


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{{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.
The values of {{TAG|ZVAL}} for all species are read from the {{TAG|POTCAR}} file and printed as a list to the {{FILE|OUTCAR}} file.


== Related Tags and Sections ==
The tables on the [[Available pseudopotentials]] page show the corresponding electronic valence configurations of all available potentials.
{{TAG|POMASS}}


{{sc|ZVAL|Examples|Examples that use this tag}}
== Related tags and articles ==
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{{TAG|POMASS}}, {{FILE|POTCAR}}
[[The_VASP_Manual|Contents]]


[[Category:INCAR]][[Category:PAW]]
[[Category:POTCAR tag]][[Category:Projector-augmented-wave method]][[Category:Electronic occupancy]]

Latest revision as of 15:01, 22 May 2025

ZVAL = [real] 

Description: ZVAL states the valency of the pseudopotential.


The values of ZVAL for all species are read from the POTCAR file and printed as a list to the OUTCAR file.

The tables on the Available pseudopotentials page show the corresponding electronic valence configurations of all available potentials.

Related tags and articles

POMASS, POTCAR