HYB_MGGA_XC_GAS22

Google Accelerated Science 22 [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _ALPHA

• _BETA

• _COS00

• _COS10

• _COS20

• _COS21

• _COS60

• _CSS00

• _CSS04

• _CSS10

• _CSS20

• _CSS43

• _CX00

• _CX01

• _CX10

• _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]

_ALPHA: real = 1.00000000E+000

fraction of HF exchange [Edit on GitHub]

_BETA: real = -8.50000000E-001

fraction of short-range exchange [Edit on GitHub]

_COS00: real = 8.05124374E-001

u^00 coefficient for opposite-spin correlation [Edit on GitHub]

_COS10: real = 7.98909431E+000

u^20 coefficient for opposite-spin correlation [Edit on GitHub]

_COS20: real = -7.54815901E+000

u^60 coefficient for opposite-spin correlation [Edit on GitHub]

_COS21: real = 2.00093962E+000

u^62/3 coefficient for opposite-spin correlation [Edit on GitHub]

_COS60: real = -1.76098915E+000

u^22/3 coefficient for opposite-spin correlation [Edit on GitHub]

_CSS00: real = 1.00000000E+000

u^01 coefficient for same-spin correlation [Edit on GitHub]

_CSS04: real = -4.10753796E+000

u^10 coefficient for same-spin correlation [Edit on GitHub]

_CSS10: real = -5.24218990E+000

u^20 coefficient for same-spin correlation [Edit on GitHub]

_CSS20: real = -1.76643208E+000

u^06 coefficient for same-spin correlation [Edit on GitHub]

_CSS43: real = 7.53806896E+000

u^46 coefficient for same-spin correlation [Edit on GitHub]

_CX00: real = 8.62139736E-001

u^00 coefficient for exchange [Edit on GitHub]

_CX01: real = 9.36993692E-001

u^01 coefficient for exchange [Edit on GitHub]

_CX10: real = 3.17533683E-001

u^10 coefficient for exchange [Edit on GitHub]

_OMEGA: real = 3.00000000E-001

range-separation constant [Edit on GitHub]