| Back to the main page of this manual | Input reference of CP2K version 5.1 (Revision svn:18091) |
| EPS_ERROR {Real} | |
| Target value of the MAX norm of the error | |
| This keyword cannot be repeated and it expects precisely one real. | |
| Default value: 1.00000000E-005 |
| MAX_ITER {Integer} | |
| Maximum number of iterations | |
| This keyword cannot be repeated and it expects precisely one integer. | |
| Default value: 20 |
| N_DIIS {Integer} | |
| Number of error vectors to be used in the DIIS optimization procedure | |
| This keyword cannot be repeated and it expects precisely one integer. | |
| Default value: 6 |
| Back to the main page of this manual or the CP2K home page | (Last update: 24.10.2017) |