MGGA_X_MS1

MS1 exchange of Sun, et al [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _B

• _C

• _KAPPA

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]

_B: real = 1.00000000E+000

exponent b [Edit on GitHub]

_C: real = 1.81500000E-001

c parameter [Edit on GitHub]

_KAPPA: real = 4.04000000E-001

kappa parameter [Edit on GitHub]