HYB_GGA_X_N12_SX

Minnesota N12-SX exchange functional [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _BETA

• _CC00

• _CC01

• _CC02

• _CC03

• _CC10

• _CC11

• _CC12

• _CC13

• _CC20

• _CC21

• _CC22

• _CC23

• _CC30

• _CC31

• _CC32

• _CC33

• _OMEGA

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]

_BETA: real = 2.50000000E-001

Fraction of short-range exact exchange [Edit on GitHub]

_CC00: real = 6.81116000E-001

_CC00 [Edit on GitHub]

_CC01: real = 1.88858000E+000

_CC01 [Edit on GitHub]

_CC02: real = 1.78590000E+000

_CC02 [Edit on GitHub]

_CC03: real = 8.79456000E-001

_CC03 [Edit on GitHub]

_CC10: real = -8.12270000E-002

_CC10 [Edit on GitHub]

_CC11: real = -1.08723000E+000

_CC11 [Edit on GitHub]

_CC12: real = -4.18682000E+000

_CC12 [Edit on GitHub]

_CC13: real = -3.00000000E+001

_CC13 [Edit on GitHub]

_CC20: real = 5.36236000E-001

_CC20 [Edit on GitHub]

_CC21: real = -5.45678000E+000

_CC21 [Edit on GitHub]

_CC22: real = 3.00000000E+001

_CC22 [Edit on GitHub]

_CC23: real = 5.51105000E+001

_CC23 [Edit on GitHub]

_CC30: real = -7.09913000E-001

_CC30 [Edit on GitHub]

_CC31: real = 1.30001000E+001

_CC31 [Edit on GitHub]

_CC32: real = -7.24877000E+001

_CC32 [Edit on GitHub]

_CC33: real = 2.98363000E+001

_CC33 [Edit on GitHub]

_OMEGA: real = 1.10000000E-001

Range separation parameter [Edit on GitHub]