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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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PCMDrudeLOmega
PCMDrudeLOmega
Section Hamiltonian::PCM
Type float
Default \sqrt{1/(\varepsilon_0-1)}
Resonance frequency of the solvent within Drude-Lorentz model ($\omega_0$).
Recall Drude-Lorentz dielectric function: $\varepsilon(\omega)=1+\frac{A}{\omega_0^2-\omega^2+i\gamma\omega}$
Default values of $\omega_0$ guarantee to recover static dielectric constant.
Source information
hamiltonian/pcm.F90 : 3254
call parse_variable ( namespace , 'PCMDrudeLOmega' , sqrt ( M_ONE / ( pcm % deb % eps_0 - M_ONE )), pcm % drl % w0 )