MGGA_X_RSCAN

Regularized SCAN exchange by Bartok and Yates [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _ALPHAR

• _C2

• _D

• _K1

• _TAUR

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]

_ALPHAR: real = 1.00000000E-003

alphar parameter [Edit on GitHub]

_C2: real = 8.00000000E-001

c2 parameter [Edit on GitHub]

_D: real = 1.24000000E+000

d parameter [Edit on GitHub]

_K1: real = 6.50000000E-002

k1 parameter [Edit on GitHub]

_TAUR: real = 1.00000000E-004

taur parameter [Edit on GitHub]