MGGA_X_R2SCANL

Deorbitalized re-regularized SCAN (r2SCAN-L) exchange [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _A

• _B

• _C1

• _C2

• _D

• _DP2

• _ETA

• _K1

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]

_A: real = 1.78472000E+000

a parameter [Edit on GitHub]

_B: real = 2.58304000E-001

b parameter [Edit on GitHub]

_C1: real = 6.67000000E-001

c1 parameter [Edit on GitHub]

_C2: real = 8.00000000E-001

c2 parameter [Edit on GitHub]

_D: real = 1.24000000E+000

d parameter [Edit on GitHub]

_DP2: real = 3.61000000E-001

dp2 parameter [Edit on GitHub]

_ETA: real = 1.00000000E-003

eta parameter [Edit on GitHub]

_K1: real = 6.50000000E-002

k1 parameter [Edit on GitHub]