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Hamiltonian
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DFT+U
--
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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PCMSmearingFactor
PCMSmearingFactor
Section Hamiltonian::PCM
Type float
Default 1.0
Parameter used to control the width (area of each tessera) of the Gaussians used to distribute
the polarization charges on each tessera (arXiv:1507.05471). If set to zero, the solvent
reaction potential in real-space is defined by using point charges.
Source information
hamiltonian/pcm.F90 : 642
call parse_variable ( namespace , 'PCMSmearingFactor' , M_ONE , pcm % gaussian_width )