FUNCTIONAL_TYPE | |||||||||||||||||||||
FUNCTIONAL_TYPE MCY3 | |||||||||||||||||||||
Which Hybrid functional should be used. (Has to be consistent with the definitions in XC and HF). | |||||||||||||||||||||
This optional keyword expects a keyword. Default value: MCY3 | |||||||||||||||||||||
valid keywords:
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LAMBDA | |||||||||||||||||||||
LAMBDA 0.71 | |||||||||||||||||||||
The point to be used along the adiabatic curve (0 This optional keyword expects a real. Default value: 7.0999999999999996E-01
| OMEGA |
| OMEGA 0.2
| Long-range parameter
| This optional keyword expects a real. Default value: 2.0000000000000001E-01
| FUNCTIONAL_MODEL |
| FUNCTIONAL_MODEL PADE
| Which model for the coupling constant integration should be used.
| This optional keyword expects a keyword. Default value: PADE
| valid keywords: |
|