PRESSURE_UNIT (.param)
Keyword type
String
Description
This keyword specifies the units in which pressure will be reported.
The available units and their associated identifiers are:
| Unit | Identifier |
|---|---|
| Hartree per Bohr3 | hartree/bohr**3 |
| Electron Volts per Å3 | ev/ang**3 |
| Pascal | pa |
| Megapascal | mpa |
| Gigapascal | gpa |
| Atmosphere | atm |
| Bar | bar |
| Megabar | mbar |
Default
gpa
Example
PRESSURE_UNIT : atm