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Linear Response
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Casida
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KdotP
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Polarizabilities
--- BornChargeSumRuleCorrection
--- EMCalcBornCharges
--- EMCalcMagnetooptics
--- EMCalcRotatoryResponse
--- EMEta
--- EMForceNoKdotP
--- EMFreqs
--- EMFreqsSort
--- EMHyperpol
--- EMKPointOutput
--- EMMagnetoopticsNoHVar
--- EMOccupiedResponse
--- EMPerturbationType
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--- vdWNPoints
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SCF in LR calculations
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EMHyperpol
EMHyperpol
Section Linear Response::Polarizabilities
Type block
This block describes the multiples of the frequency used for
the dynamic hyperpolarizability. The results are written to the
file beta in the directory for the first multiple.
There must be three factors, summing to zero: ω 1 + ω 2 + ω 3 = 0 \omega_1 + \omega_2 + \omega_3 = 0 ω 1 + ω 2 + ω 3 = 0 .
For example, for second-harmonic generation, you could use
1 | 1 | -2 .
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