HYB_MGGA_X_MN15

Minnesota MN15 hybrid exchange functional [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _AX

• _CC000

• _CC001

• _CC002

• _CC003

• _CC004

• _CC005

• _CC010

• _CC011

• _CC012

• _CC013

• _CC014

• _CC020

• _CC021

• _CC022

• _CC023

• _CC030

• _CC031

• _CC032

• _CC100

• _CC101

• _CC102

• _CC103

• _CC104

• _CC110

• _CC111

• _CC112

• _CC113

• _CC120

• _CC121

• _CC122

• _CC200

• _CC201

• _CC202

• _CC203

• _CC210

• _CC211

• _CC212

• _CC300

• _CC301

• _CC302

Keyword descriptions

SECTION_PARAMETERS: logical = F

Lone keyword: T

Activates the functional. [Edit on GitHub]

SCALE: real = 1.00000000E+000

Scales this functional [Edit on GitHub]

_AX: real = 4.40000000E-001

exact exchange [Edit on GitHub]

_CC000: real = 7.38522350E-002

CC000 [Edit on GitHub]

_CC001: real = -8.39976156E-001

CC001 [Edit on GitHub]

_CC002: real = -3.08266012E+000

CC002 [Edit on GitHub]

_CC003: real = -1.02881285E+000

CC003 [Edit on GitHub]

_CC004: real = -8.11697255E-001

CC004 [Edit on GitHub]

_CC005: real = -6.34043870E-002

CC005 [Edit on GitHub]

_CC010: real = 2.54805518E+000

CC010 [Edit on GitHub]

_CC011: real = -5.03157891E+000

CC011 [Edit on GitHub]

_CC012: real = 3.17021590E-001

CC012 [Edit on GitHub]

_CC013: real = 2.98186821E+000

CC013 [Edit on GitHub]

_CC014: real = -7.49503735E-001

CC014 [Edit on GitHub]

_CC020: real = 2.31825661E-001

CC020 [Edit on GitHub]

_CC021: real = 1.26196141E+000

CC021 [Edit on GitHub]

_CC022: real = 1.66592081E+000

CC022 [Edit on GitHub]

_CC023: real = 7.48330494E+000

CC023 [Edit on GitHub]

_CC030: real = -2.54424572E+000

CC030 [Edit on GitHub]

_CC031: real = 1.38472003E+000

CC031 [Edit on GitHub]

_CC032: real = 6.90256989E+000

CC032 [Edit on GitHub]

_CC100: real = 1.65739945E+000

CC100 [Edit on GitHub]

_CC101: real = 2.98526709E+000

CC101 [Edit on GitHub]

_CC102: real = 6.89391326E+000

CC102 [Edit on GitHub]

_CC103: real = 2.48981399E+000

CC103 [Edit on GitHub]

_CC104: real = 1.45472469E+000

CC104 [Edit on GitHub]

_CC110: real = -5.05432407E+000

CC110 [Edit on GitHub]

_CC111: real = 2.35273334E+000

CC111 [Edit on GitHub]

_CC112: real = 1.29910413E+000

CC112 [Edit on GitHub]

_CC113: real = 1.20316822E+000

CC113 [Edit on GitHub]

_CC120: real = 1.21595877E-001

CC120 [Edit on GitHub]

_CC121: real = 8.04834824E+000

CC121 [Edit on GitHub]

_CC122: real = 2.19120366E+001

CC122 [Edit on GitHub]

_CC200: real = -1.85233583E+000

CC200 [Edit on GitHub]

_CC201: real = -3.47227350E+000

CC201 [Edit on GitHub]

_CC202: real = -1.56459149E+000

CC202 [Edit on GitHub]

_CC203: real = -2.29578769E+000

CC203 [Edit on GitHub]

_CC210: real = 3.66648299E+000

CC210 [Edit on GitHub]

_CC211: real = 1.08707464E+001

CC211 [Edit on GitHub]

_CC212: real = 9.69669139E+000

CC212 [Edit on GitHub]

_CC300: real = 6.30701064E-001

CC300 [Edit on GitHub]

_CC301: real = -5.05825216E-001

CC301 [Edit on GitHub]

_CC302: real = -3.56235453E+000

CC302 [Edit on GitHub]