ZVAL: Difference between revisions

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.

@@ Line 1: / Line 1: @@
-{{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.
 ----
-{{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.
+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.
+The tables on the [[Available pseudopotentials]] page show the corresponding electronic valence configurations of all available potentials.
 == Related tags and articles ==
 {{TAG|POMASS}}, {{FILE|POTCAR}}
-{{sc|ZVAL|Examples|Examples that use this tag}}
+[[Category:POTCAR tag]][[Category:Projector-augmented-wave method]][[Category:Electronic occupancy]]
-[[Category:INCAR tag]][[Category:POTCAR tag]][[Category:Projector-augmented-wave method]][[Category:Electronic occupancy]]