CONFINEMENT |
|
| CONFINEMENT prefactor range exponent
|
| Definition of confinement potential
|
| This optional keyword expects a list of reals. Default value: 0.0000000000000000E+00 4.0000000000000000E+00 2.0000000000000000E+00
|
PSEUDO_TYPE |
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| PSEUDO_TYPE GTH
|
| Pseudopotential type
|
| This optional keyword expects a keyword. Default value: NONE
|
| valid keywords: NONE, GTH |
POTENTIAL_FILE_NAME |
|
| POTENTIAL_FILE_NAME
| Name of the pseudo potential file, may include a path
| | This optional keyword expects a string. Default value: POTENTIAL
| POTENTIAL_NAME |
| | POTENTIAL_NAME
| The name of the pseudopotential for the defined kind.
| | This optional keyword expects a word. Default value: " "
| | variants: POT_NAME | | |