| Back to the main page of this manual | Input reference of CP2K version 2.1.820 |
| QXX QXY QXZ QYY QYZ QZZ | |
| The quadrupole components for each atom. | |
| This optional keyword can be repeated and it expects precisely 6 reals. |
| Back to the main page of this manual or the CP2K home page | (Last update: 30.1.2012) |