HYB_MGGA_X_MN12_SX
Minnesota MN12-SX hybrid exchange functional [Edit on GitHub]
Keywords
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]