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Hamiltonian
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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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PCMDebyeRelaxTime
PCMDebyeRelaxTime
Section Hamiltonian::PCM
Type float
Default 0.0
Relaxation time of the solvent within Debye model ($\tau$). Recall Debye dieletric function:
$\varepsilon(\omega)=\varepsilon_d+\frac{\varepsilon_0-\varepsilon_d}{1-i\omega\tau}$
Source information
hamiltonian/pcm.F90 : 3254
call parse_variable ( namespace , 'PCMDebyeRelaxTime' , M_ZERO , pcm % deb % tau )