MGGA_C_M06
Minnesota M06 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]
- _ALPHA_AB: real = 3.04966000E-003
alpha_ab [Edit on GitHub]
- _ALPHA_SS: real = 5.15088000E-003
alpha_ss [Edit on GitHub]
- _CAB0: real = 3.74153900E+000
cab0 [Edit on GitHub]
- _CAB1: real = 2.18709800E+002
cab1 [Edit on GitHub]
- _CAB2: real = -4.53125200E+002
cab2 [Edit on GitHub]
- _CAB3: real = 2.93647900E+002
cab3 [Edit on GitHub]
- _CAB4: real = -6.28747000E+001
cab4 [Edit on GitHub]
- _CSS0: real = 5.09405500E-001
css0 [Edit on GitHub]
- _CSS1: real = -1.49108500E+000
css1 [Edit on GitHub]
- _CSS2: real = 1.72392200E+001
css2 [Edit on GitHub]
- _CSS3: real = -3.85901800E+001
css3 [Edit on GitHub]
- _CSS4: real = 2.84504400E+001
css4 [Edit on GitHub]
- _DAB0: real = -2.74153900E+000
dab0 [Edit on GitHub]
- _DAB1: real = -6.72011300E-001
dab1 [Edit on GitHub]
- _DAB2: real = -7.93268800E-002
dab2 [Edit on GitHub]
- _DAB3: real = 1.91868100E-003
dab3 [Edit on GitHub]
- _DAB4: real = -2.03290200E-003
dab4 [Edit on GitHub]
- _DAB5: real = 0.00000000E+000
dab5 [Edit on GitHub]
- _DSS0: real = 4.90594500E-001
dss0 [Edit on GitHub]
- _DSS1: real = -1.43734800E-001
dss1 [Edit on GitHub]
- _DSS2: real = 2.35782400E-001
dss2 [Edit on GitHub]
- _DSS3: real = 1.87101500E-003
dss3 [Edit on GitHub]
- _DSS4: real = -3.78896300E-003
dss4 [Edit on GitHub]
- _DSS5: real = 0.00000000E+000
dss5 [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]