| Back to the main page of this manual | Input reference of CP2K version 2.3 (Revision 12341) |
| A_LIST REAL REAL REAL | |
| A matrix The defaults give optimal sampling for most cristalline and liquid compounds. Generated with the parameters set kv_4-4.acentered on w_0=40 cm^-1. | |
| This optional keyword can be repeated and it expects a list of reals. | |
| Default unit: [internal_cp2k] |
| A_SCALE 0.5 | |
| scaling factor for matrix A (for generic matrix A, depends on the characteristic frequency of the system). | |
| This optional keyword cannot be repeated and it expects precisely one real. | |
| Default value: 1.00000000E+00 | |
| Default unit: [ps^-1] |
| C_LIST REAL REAL REAL | |
| C matrix | |
| This optional keyword can be repeated and it expects a list of reals. | |
| Default unit: [K_e] |
| NDIM 6 | |
| Size of the gle matrix | |
| This optional keyword cannot be repeated and it expects precisely one integer. | |
| Default value: 5 |
| Back to the main page of this manual or the CP2K home page | (Last update: 3.9.2012) |