HYB_MGGA_X_MN12_SX

Minnesota MN12-SX 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

• _OMEGA

• _SX

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 = 0.00000000E+000

exact exchange [Edit on GitHub]

_CC000: real = 5.22655600E-001

CC000 [Edit on GitHub]

_CC001: real = -2.68120800E-001

CC001 [Edit on GitHub]

_CC002: real = -4.67070500E+000

CC002 [Edit on GitHub]

_CC003: real = 3.06732000E+000

CC003 [Edit on GitHub]

_CC004: real = 4.09537000E+000

CC004 [Edit on GitHub]

_CC005: real = 2.65302300E+000

CC005 [Edit on GitHub]

_CC010: real = 5.16596900E-001

CC010 [Edit on GitHub]

_CC011: real = -2.03544200E+001

CC011 [Edit on GitHub]

_CC012: real = -9.94647200E+000

CC012 [Edit on GitHub]

_CC013: real = 2.93863700E+000

CC013 [Edit on GitHub]

_CC014: real = 1.13110000E+001

CC014 [Edit on GitHub]

_CC020: real = 4.75245200E+000

CC020 [Edit on GitHub]

_CC021: real = -3.06133100E+000

CC021 [Edit on GitHub]

_CC022: real = -2.52317300E+001

CC022 [Edit on GitHub]

_CC023: real = 1.71090300E+001

CC023 [Edit on GitHub]

_CC030: real = -2.35748000E+001

CC030 [Edit on GitHub]

_CC031: real = -2.72775400E+001

CC031 [Edit on GitHub]

_CC032: real = 1.60329100E+001

CC032 [Edit on GitHub]

_CC100: real = 1.84250300E+000

CC100 [Edit on GitHub]

_CC101: real = 1.92712000E+000

CC101 [Edit on GitHub]

_CC102: real = 1.10798700E+001

CC102 [Edit on GitHub]

_CC103: real = -1.18208700E+001

CC103 [Edit on GitHub]

_CC104: real = -1.11776800E+001

CC104 [Edit on GitHub]

_CC110: real = -5.82100000E+000

CC110 [Edit on GitHub]

_CC111: real = 2.26654500E+001

CC111 [Edit on GitHub]

_CC112: real = 8.24670800E+000

CC112 [Edit on GitHub]

_CC113: real = -4.77836400E+000

CC113 [Edit on GitHub]

_CC120: real = 5.32912200E-001

CC120 [Edit on GitHub]

_CC121: real = -6.66675500E+000

CC121 [Edit on GitHub]

_CC122: real = 1.67142900E+000

CC122 [Edit on GitHub]

_CC200: real = -3.31140900E+000

CC200 [Edit on GitHub]

_CC201: real = 3.41591300E-001

CC201 [Edit on GitHub]

_CC202: real = -6.41307600E+000

CC202 [Edit on GitHub]

_CC203: real = 1.03858400E+001

CC203 [Edit on GitHub]

_CC210: real = 9.02627700E+000

CC210 [Edit on GitHub]

_CC211: real = 1.92968900E+001

CC211 [Edit on GitHub]

_CC212: real = 2.66923200E+001

CC212 [Edit on GitHub]

_CC300: real = 1.51727800E+000

CC300 [Edit on GitHub]

_CC301: real = -3.44250300E+000

CC301 [Edit on GitHub]

_CC302: real = 1.10016100E+000

CC302 [Edit on GitHub]

_OMEGA: real = 1.10000000E-001

range separation [Edit on GitHub]

_SX: real = 2.50000000E-001

short-range exchange [Edit on GitHub]