GGA_X_N12

Minnesota N12 exchange functional [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _CC00

• _CC01

• _CC02

• _CC03

• _CC10

• _CC11

• _CC12

• _CC13

• _CC20

• _CC21

• _CC22

• _CC23

• _CC30

• _CC31

• _CC32

• _CC33

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]

_CC00: real = 1.00000000E+000

_CC00 [Edit on GitHub]

_CC01: real = 5.07880000E-001

_CC01 [Edit on GitHub]

_CC02: real = 1.68233000E-001

_CC02 [Edit on GitHub]

_CC03: real = 1.28887000E-001

_CC03 [Edit on GitHub]

_CC10: real = 8.60211000E-002

_CC10 [Edit on GitHub]

_CC11: real = -1.71008000E+001

_CC11 [Edit on GitHub]

_CC12: real = 6.50814000E+001

_CC12 [Edit on GitHub]

_CC13: real = -7.01726000E+001

_CC13 [Edit on GitHub]

_CC20: real = -3.90755000E-001

_CC20 [Edit on GitHub]

_CC21: real = 5.13392000E+001

_CC21 [Edit on GitHub]

_CC22: real = -1.66220000E+002

_CC22 [Edit on GitHub]

_CC23: real = 1.42738000E+002

_CC23 [Edit on GitHub]

_CC30: real = 4.03611000E-001

_CC30 [Edit on GitHub]

_CC31: real = -3.44631000E+001

_CC31 [Edit on GitHub]

_CC32: real = 7.61661000E+001

_CC32 [Edit on GitHub]

_CC33: real = -2.41834000E+000

_CC33 [Edit on GitHub]