fluid [<type>=None] [<Temperature>=298K] [<Pressure>=1.01325bar]
Perform joint density functional theory with fluid of <type>:
None:
Standard vacuum DFT calculation with no solvation model.
Use a solvation model that includes linear dielectric (and/or ionic) response. Select a specific linear solvation model using pcm-variant.
Use a solvation model that includes nonlinear dielectric (and/or ionic) response, and accounts for dielectric saturation effects. Select a specific nonlinear solvation model using pcm-variant.
Use the non-empirical nonlocal-response solvation model based on the Spherically-averaged Liquid Susceptibility Ansatz.
ClassicalDFT:
Full joint density-functional theory with a classical density-functional description of the solvent. See fluid-solvent, fluid-cation, fluid-anion and related commands for controlling the classical density-functional theory.
Optionally adjust the fluid <Temperature> (in Kelvin) and <Pressure> (in bars).
Requires: coulomb-interaction
Forbids: (None)
Allow multiple: no
Default:
fluid None
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