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DFT+U
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PCM
--- PCMCalcMethod
--- PCMCalculation
--- PCMCavity
--- PCMChargeSmearNN
--- PCMDebyeRelaxTime
--- PCMDrudeLDamping
--- PCMDrudeLOmega
--- PCMDynamicEpsilon
--- PCMEoMInitialCharges
--- PCMEpsilonModel
--- PCMGamessBenchmark
--- PCMKick
--- PCMLocalField
--- PCMQtotTol
--- PCMRadiusScaling
--- PCMRenormCharges
--- PCMSmearingFactor
--- PCMSolute
--- PCMSpheresOnH
--- PCMStaticEpsilon
--- PCMTDLevel
--- PCMTessMinDistance
--- PCMTessSubdivider
--- PCMUpdateIter
--- PCMVdWRadii
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PCMSolute
PCMSolute
Section Hamiltonian::PCM
Type logical
Default yes
This variable is a flag for including polarization effects of the solvent due to the solute.
(Useful for analysis) When external fields are applied, turning off the solvent-molecule interaction (PCMSolute=no) and
activating the solvent polarization due to the applied field (PCMLocalField=yes) allows to include only local field effects.
Source information
hamiltonian/pcm.F90 : 521
call parse_variable ( namespace , 'PCMSolute' , . true ., pcm % solute )