| Specify the value of the skin of the Wall. The wall's effect is felt when atoms fall within the skin of the Wall.
|
| This optional keyword expects a real. Default unit: [angstrom], default value: 5.0000000000000000E-01
angstrom |
| TYPE |
|
| TYPE REFLECTIVE
|
| Specifies the type of wall
|
| This optional keyword expects a keyword. Default value: REFLECTIVE
|
| valid keywords: NONE: No Wall around QM box
REFLECTIVE: Reflective Wall around QM box
QUADRATIC: Quadratic Wall around QM box
|
| K |
|
| K
| Specify the value of the the force constant for the quadratic wall
| | This optional keyword expects a real. Default unit: [internal_cp2k]. | |