HFSCREEN

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HFSCREEN = [real]
Default: HFSCREEN = 0 (none)

Description: HFSCREEN (in Å^-1) specifies the range-separation parameter in range-separated hybrid functionals.

In case LHFCALC=.TRUE., in combination with PBE potentials (or GGA=PE), attributing a value to HFSCREEN will switch from the PBE0 functional to e.g., the closely related HSE03 (HFSCREEN=0.3) or HSE06 (HFSCREEN=0.2) functionals.

Related tags and articles

AEXX, ALDAX, ALDAC, AGGAX, AGGAC, LTHOMAS, LRHFCALC, List of hybrid functionals, Hybrid functionals: formalism

Examples that use this tag