HFSCREEN: Difference between revisions

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{{TAG|AGGAC}},
{{TAG|AGGAC}},
{{TAG|LTHOMAS}},
{{TAG|LTHOMAS}},
{{TAG|LRHFCALC}},
[[list_of_hybrid_functionals|List of hybrid functionals]]
[[list_of_hybrid_functionals|List of hybrid functionals]]



Revision as of 19:00, 17 October 2023

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

Examples that use this tag