MGGA_C_VSXC

VSXC (correlation part) [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _ALPHA_OS

• _ALPHA_SS

• _DAB0

• _DAB1

• _DAB2

• _DAB3

• _DAB4

• _DAB5

• _DSS0

• _DSS1

• _DSS2

• _DSS3

• _DSS4

• _DSS5

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_OS: real = 3.04966000E-003

opposite-spin alpha [Edit on GitHub]

_ALPHA_SS: real = 5.15088000E-003

same-spin alpha [Edit on GitHub]

_DAB0: real = 7.03501000E-001

opposite-spin a parameter [Edit on GitHub]

_DAB1: real = 7.69457400E-003

opposite-spin b parameter [Edit on GitHub]

_DAB2: real = 5.15276500E-002

opposite-spin c parameter [Edit on GitHub]

_DAB3: real = 3.39430800E-005

opposite-spin d parameter [Edit on GitHub]

_DAB4: real = -1.26942000E-003

opposite-spin e parameter [Edit on GitHub]

_DAB5: real = 1.29611800E-003

opposite-spin f parameter [Edit on GitHub]

_DSS0: real = 3.27091200E-001

same-spin a parameter [Edit on GitHub]

_DSS1: real = -3.22891500E-002

same-spin b parameter [Edit on GitHub]

_DSS2: real = -2.94240600E-002

same-spin c parameter [Edit on GitHub]

_DSS3: real = 2.13422200E-003

same-spin d parameter [Edit on GitHub]

_DSS4: real = -5.45155900E-003

same-spin e parameter [Edit on GitHub]

_DSS5: real = 1.57757500E-002

same-spin f parameter [Edit on GitHub]