MGGA_C_M05
Minnesota M05 correlation 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]
- _CAB0: real = 1.00000000E+000
cab0 [Edit on GitHub]
- _CAB1: real = 3.78569000E+000
cab1 [Edit on GitHub]
- _CAB2: real = -1.41526100E+001
cab2 [Edit on GitHub]
- _CAB3: real = -7.46589000E+000
cab3 [Edit on GitHub]
- _CAB4: real = 1.79449100E+001
cab4 [Edit on GitHub]
- _CSS0: real = 1.00000000E+000
css0 [Edit on GitHub]
- _CSS1: real = 3.77344000E+000
css1 [Edit on GitHub]
- _CSS2: real = -2.60446300E+001
css2 [Edit on GitHub]
- _CSS3: real = 3.06991300E+001
css3 [Edit on GitHub]
- _CSS4: real = -9.22695000E+000
css4 [Edit on GitHub]
- _FERMI_D_CNST: real = 1.00000000E-010
Constant for the correction term similar to 10.1063/1.2800011 [Edit on GitHub]
- _GAMMA_AB: real = 3.10000000E-003
gamma_ab [Edit on GitHub]
- _GAMMA_SS: real = 6.00000000E-002
gamma_ss [Edit on GitHub]