HFSCREEN: Difference between revisions
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Description: {{TAG|HFSCREEN}} specifies the range-separation parameter in [[hybrid_functionals#range_separated|range separated hybrid functionals]]. | Description: {{TAG|HFSCREEN}} specifies the range-separation parameter in [[hybrid_functionals#range_separated|range separated hybrid functionals]]. | ||
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In case {{TAG|LHFCALC}}=.TRUE., in combination with PBE potentials (or {{TAG|GGA}}=PE), attributing a value to {{TAG|HFSCREEN}} will switch from the PBE0 functional to e.g., the closely related HSE03 or HSE06 functionals. | In case {{TAG|LHFCALC}}=.TRUE., in combination with PBE potentials (or {{TAG|GGA}}=PE), attributing a value to {{TAG|HFSCREEN}} will switch from the PBE0 functional to e.g., the closely related HSE03 or [[specific_hybrd_functionals#HSE06|HSE06]] functionals. | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
Revision as of 16:35, 2 February 2011
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