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XCKernel

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XCKernel

Section Hamiltonian::XC
Type integer
Default -1

Defines the exchange-correlation kernel. LDA and GGA kernels are available; meta-GGAs and hybrids are not. The options are the same as XCFunctional. Note: the kernel is only needed for Casida, Sternheimer, or optimal-control calculations. Note: the second-order kernel needed for hyperpolarizabilities (EMHyperpol) is still restricted to LDA.

Options:

xc_functional:
The same functional defined by XCFunctional. By default, this is the case.

Source information

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