MINIMA_HOPPING
References: Goedecker2004
Section controlling the Minima Hopping method. [Edit on GitHub]
Keywords
Keyword descriptions
ALPHA_1
Type: real
Default: 9.80000000E-001
Description: Factor used to decrease acceptance energy, when minima was accepted, should be smaller than 1. [Edit on GitHub]
ALPHA_2
Type: real
Default: 1.02040816E+000
Description: Factor used to increase acceptance energy, when minima was rejected, should be larger than 1. [Edit on GitHub]
BETA_1
Type: real
Default: 1.10000000E+000
Description: Factor used to increase temperature when escape failed, should be larger than 1. [Edit on GitHub]
BETA_2
Type: real
Default: 1.10000000E+000
Description: Factor used to increase temperature when escape found known minima, should be larger than 1. [Edit on GitHub]
BETA_3
Type: real
Default: 9.09090909E-001
Description: Factor used to decrease temperature when escape succeeded, should be smaller than 1. [Edit on GitHub]
E_ACCEPT_INIT
Type: real
Default: 5.00000000E-003 [hartree]
Description: Initial value of acceptance energy [Edit on GitHub]
SHARE_HISTORY
Type: logical
Default: F
Lone keyword: T
Description: If set all worker will use a single share history of visited minima. [Edit on GitHub]
TEMPERATURE_INIT
Type: real
Default: 1.00000000E+002
Description: Initially temperature in Kelvin [Edit on GitHub]