| Back to the main page of this manual | Input reference of CP2K version 2023.1 |
CP2K_INPUT /
FORCE_EVAL /
PROPERTIES /
TIP_SCAN&TIP_SCAN {Logical} |
|
| Controls the activation of the Tip Scan procedure | |
| This keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to
.TRUE. |
|
Default value:
.FALSE. |
REFERENCE_POINT {Real} {Real} {Real} |
|
| The reference point to define the absolute position of the scan. | |
| This keyword cannot be repeated and it expects precisely 3 reals. | |
Default values:
0.00000000E+000 0.00000000E+000 0.00000000E+000 |
|
Default unit:
[angstrom]
|
SCAN_DIRECTION {Keyword} |
|
| Defines scan direction and scan type(line, plane). | |
| This keyword cannot be repeated and it expects precisely one keyword. | |
Default value:
XY |
|
List of valid keywords:
|
SCAN_POINTS {Integer} ... |
|
| Number of points calculated for each scan direction. | |
| This keyword cannot be repeated and it expects a list of integers. |
SCAN_STEP {Real} ... |
|
| Step size for each scan direction. | |
| This keyword cannot be repeated and it expects a list of reals. | |
Default unit:
[angstrom]
|
TIP_FILENAME {String} |
|
| Filename of tip potential defined in cube file format. | |
| This keyword cannot be repeated and it expects precisely one string. |
| Back to the main page of this manual or the CP2K home page | (Last update: 31.12.2022) |