| Back to the main page of this manual | Input reference of CP2K version 2.5.1 (Revision svn:13632) |
| ALPHA_1 {Real} | |
| Factor used to decrease acceptance energy, when minima was accepted, should be smaller than 1. | |
| This keyword cannot be repeated and it expects precisely one real. | |
| Default value: 9.80000000E-01 |
| ALPHA_2 {Real} | |
| Factor used to increase acceptance energy, when minima was rejected, should be larger than 1. | |
| This keyword cannot be repeated and it expects precisely one real. | |
| Default value: 1.02040816E+00 |
| BETA_1 {Real} | |
| Factor used to increase temperature when escape failed, should be larger than 1. | |
| This keyword cannot be repeated and it expects precisely one real. | |
| Default value: 1.10000000E+00 |
| BETA_2 {Real} | |
| Factor used to increase temperature when escape found known minima, should be larger than 1. | |
| This keyword cannot be repeated and it expects precisely one real. | |
| Default value: 1.10000000E+00 |
| BETA_3 {Real} | |
| Factor used to decrease temperature when escape succeeded, should be smaller than 1. | |
| This keyword cannot be repeated and it expects precisely one real. | |
| Default value: 9.09090909E-01 |
| E_ACCEPT_INIT {Real} | |
| Initial value of acceptance energy | |
| This keyword cannot be repeated and it expects precisely one real. | |
| Default value: 5.00000000E-03 | |
| Default unit: [hartree] |
| SHARE_HISTORY {Logical} | |
| If set all worker will use a single share history of visited minima. | |
| This keyword cannot be repeated and it expects precisely one logical. | |
| The lone keyword behaves as a switch to .TRUE. | |
| Default value: .FALSE. |
| TEMPERATURE_INIT {Real} | |
| Initially temperature in Kelvin | |
| This keyword cannot be repeated and it expects precisely one real. | |
| Default value: 1.00000000E+02 |
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