Back to the main page of this manual | C2PK input reference of SVN source code revision 12993 |
TIMECON_LANGEVIN <REAL> | |
Time constant of the Langevin part of the AD_LANGEVIN thermostat. A small time constant will result in strong thermostatting (useful for initial equilibrations) and a large time constant would be adequate to get weak thermostatting in production runs. | |
This optional keyword cannot be repeated and it expects precisely one real. | |
Default value: 1.00000000E+03 | |
Default unit: [fs] |
TIMECON_NH <REAL> | |
Time constant of the Nose-Hoover part of the AD_LANGEVIN thermostat. A small time constant will result in strong thermostatting (useful for initial equilibrations) and a large time constant would be adequate to get weak thermostatting in production runs. | |
This optional keyword cannot be repeated and it expects precisely one real. | |
Default value: 1.00000000E+03 | |
Default unit: [fs] |
Back to the main page of this manual or the CP2K home page | (Last update: 22.12.2013) |