HFSCREEN

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Revision as of 19:33, 14 March 2022 by Ftran (talk | contribs)

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

Description: HFSCREEN (in Å-1) specifies the range-separation parameter in Help categoryCategroy:Hybrids.


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

Examples that use this tag