ZVAL: Difference between revisions
No edit summary |
No edit summary |
||
| Line 11: | Line 11: | ||
{{sc|ZVAL|Examples|Examples that use this tag}} | {{sc|ZVAL|Examples|Examples that use this tag}} | ||
[[Category:INCAR tag]][[Category:POTCAR tag]][[Category:Projector-augmented-wave method]] | [[Category:INCAR tag]][[Category:POTCAR tag]][[Category:Projector-augmented-wave method]][[Category:Electronic occupancy]] | ||
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 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.