HFSCREEN: Difference between revisions
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[[Category:INCAR]][[Category: | [[Category:INCAR]][[Category:Exchange-correlation functionals]][[Category:Hybrids]] | ||
Revision as of 07:46, 6 April 2022
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 Sections
AEXX, AGGAX, AGGAC, ALDAC, LTHOMAS, settings for specific hybrid functionals