HYB_MGGA_X_TAU_HCTH

Hybrid version of tau-HCTH [Edit on GitHub]

Keywords

SECTION_PARAMETERS
SCALE
_AX
_CXL0
_CXL1
_CXL2
_CXL3
_CXNL0
_CXNL1
_CXNL2
_CXNL3

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 = 1.50000000E-001: Fraction of exact exchange [Edit on GitHub]

_CXL0: real = 8.67350000E-001: Local exchange, u^0 coefficient [Edit on GitHub]

_CXL1: real = 3.00800000E-001: Local exchange, u^1 coefficient [Edit on GitHub]

_CXL2: real = 1.22080000E+000: Local exchange, u^2 coefficient [Edit on GitHub]

_CXL3: real = 1.57400000E-001: Local exchange, u^3 coefficient [Edit on GitHub]

_CXNL0: real = -2.30000000E-003: Non-local exchange, u^0 coefficient [Edit on GitHub]

_CXNL1: real = -2.84900000E-001: Non-local exchange, u^1 coefficient [Edit on GitHub]

_CXNL2: real = 5.41460000E+000: Non-local exchange, u^2 coefficient [Edit on GitHub]

_CXNL3: real = -1.09090000E+001: Non-local exchange, u^3 coefficient [Edit on GitHub]