MixField

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MixField

Section SCF::Mixing
Type integer

Selects what should be mixed during the SCF cycle. Note that currently the exact-exchange part of hybrid functionals is not mixed at all, which would require wavefunction-mixing, not yet implemented. This may lead to instabilities in the SCF cycle, so starting from a converged LDA/GGA calculation is recommended for hybrid functionals. The default depends on the TheoryLevel and the exchange-correlation potential used. This is not used in case of imaginary-time evolution.

Options:


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