HFSCREEN

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Revision as of 16:36, 2 February 2011 by Mmars (talk | contribs)

HFSCREEN = [real]
Default: HFSCREEN = none 

Description: HFSCREEN 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 or HSE06 functionals.

Related Tags and Sections

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


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