| IMAGE block/namelist for Image Box parameters |
| Parameter |
Description |
Default value |
| HIMAGE |
Height of cylinder image box (with IMAGES=4) (a.u.) |
0.0 |
| IMAGEQ |
Parameter indicating if Friedman's method of image charges should be used
| 0 |
: |
Do not use image charges |
| 1 |
: |
Use image charges |
|
0 |
| IMAGES |
Kind of image box to be used
| 0 |
: |
No image box present |
| 1 |
: |
Spherical image box (with radius RIMAGE) |
| 2 |
: |
Cubic image box (with side RIMAGE) |
| 3 |
: |
Rectangular image box (with sides XIMAGE, YIMAGE, ZIMAGE) |
| 4 |
: |
Cylinder image box (with radius RIMAGE and height HIMAGE) |
|
0 |
| RIMAGE |
Radius of spherical image box (with IMAGES=1) (a.u.) or
Side of cubic image box (with IMAGES=2) (a.u.) |
0.0 |
| WFACT |
Exponential prefactor used in Thole's
exponential screening function as used for Wall Force |
2.1304 |
| XIMAGE |
Length of rectangular image box in X-direction (a.u.) |
0.0 |
| YIMAGE |
Length of rectangular image box in Y-direction (a.u.) |
0.0 |
| ZIMAGE |
Length of rectangular image box in Z-direction (a.u.) |
0.0 |
