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HFRCUT = [real]
Default: HFRCUT = 0 

Description: HFRCUT specifies the spherical cutoff radius for the potential kernel in hybrid functionals.

For systems with a finite band gap HFRCUT=-1 should be set to evaluate an appropriate spherical cutoff radius for the Coulomb kernel automatically.

Related Tags and Sections

AEXX, AGGAX, AGGAC, ALDAC, LTHOMAS, hybrid functionals, range separated hybrid functionals, settings for specific hybrid functionals

Examples that use this tag