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Model Hamiltonians
Density Functional (XC)
Relativistic Effects and Spin
Solvation
COSMO: Conductor like Screening Model and the Solvation-key
Additional keys for periodic systems
SM12: Solvation Model 12
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BAND
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Model Hamiltonians
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Solvation
Solvation
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Band offers two implicit solvent models, COSMO and SM12.
COSMO: Conductor like Screening Model and the Solvation-key
Additional keys for periodic systems
SM12: Solvation Model 12
Input