HYB_GGA_XC_CASE21
CASE21: Constrained And Smoothed semi-Empirical 2021 functional [Edit on GitHub]
Keywords
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 = 2.50000000E-001
ax parameter [Edit on GitHub]
- _CC0: real = 1.14597000E+000
cc0 parameter [Edit on GitHub]
- _CC1: real = 9.98463000E-001
cc1 parameter [Edit on GitHub]
- _CC2: real = 8.60252000E-001
cc2 parameter [Edit on GitHub]
- _CC3: real = 7.30431000E-001
cc3 parameter [Edit on GitHub]
- _CC4: real = 5.97762000E-001
cc4 parameter [Edit on GitHub]
- _CC5: real = 4.57063000E-001
cc5 parameter [Edit on GitHub]
- _CC6: real = 3.08760000E-001
cc6 parameter [Edit on GitHub]
- _CC7: real = 1.55654000E-001
cc7 parameter [Edit on GitHub]
- _CC8: real = 7.45555000E-005
cc8 parameter [Edit on GitHub]
- _CC9: real = -1.55941600E-001
cc9 parameter [Edit on GitHub]
- _CX0: real = 8.89402000E-001
cx0 parameter [Edit on GitHub]
- _CX1: real = 9.97849000E-001
cx1 parameter [Edit on GitHub]
- _CX2: real = 1.11912000E+000
cx2 parameter [Edit on GitHub]
- _CX3: real = 1.24555000E+000
cx3 parameter [Edit on GitHub]
- _CX4: real = 1.35175000E+000
cx4 parameter [Edit on GitHub]
- _CX5: real = 1.44740000E+000
cx5 parameter [Edit on GitHub]
- _CX6: real = 1.54252000E+000
cx6 parameter [Edit on GitHub]
- _CX7: real = 1.63761000E+000
cx7 parameter [Edit on GitHub]
- _CX8: real = 1.73269000E+000
cx8 parameter [Edit on GitHub]
- _CX9: real = 1.82777000E+000
cx9 parameter [Edit on GitHub]
- _GAMMAC: real = 1.49869874E+001
gammac parameter [Edit on GitHub]
- _GAMMAX: real = 2.73028573E-001
gammax parameter [Edit on GitHub]