HYB_GGA_X_N12_SX
Minnesota N12-SX exchange 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]
- _BETA: real = 2.50000000E-001
Fraction of short-range exact exchange [Edit on GitHub]
- _CC00: real = 6.81116000E-001
_CC00 [Edit on GitHub]
- _CC01: real = 1.88858000E+000
_CC01 [Edit on GitHub]
- _CC02: real = 1.78590000E+000
_CC02 [Edit on GitHub]
- _CC03: real = 8.79456000E-001
_CC03 [Edit on GitHub]
- _CC10: real = -8.12270000E-002
_CC10 [Edit on GitHub]
- _CC11: real = -1.08723000E+000
_CC11 [Edit on GitHub]
- _CC12: real = -4.18682000E+000
_CC12 [Edit on GitHub]
- _CC13: real = -3.00000000E+001
_CC13 [Edit on GitHub]
- _CC20: real = 5.36236000E-001
_CC20 [Edit on GitHub]
- _CC21: real = -5.45678000E+000
_CC21 [Edit on GitHub]
- _CC22: real = 3.00000000E+001
_CC22 [Edit on GitHub]
- _CC23: real = 5.51105000E+001
_CC23 [Edit on GitHub]
- _CC30: real = -7.09913000E-001
_CC30 [Edit on GitHub]
- _CC31: real = 1.30001000E+001
_CC31 [Edit on GitHub]
- _CC32: real = -7.24877000E+001
_CC32 [Edit on GitHub]
- _CC33: real = 2.98363000E+001
_CC33 [Edit on GitHub]
- _OMEGA: real = 1.10000000E-001
Range separation parameter [Edit on GitHub]