HFSCREEN: Difference between revisions
No edit summary |
No edit summary |
||
| (5 intermediate revisions by 2 users not shown) | |||
| Line 10: | Line 10: | ||
{{TAG|AGGAC}}, | {{TAG|AGGAC}}, | ||
{{TAG|ALDAC}}, | {{TAG|ALDAC}}, | ||
{{TAG|LTHOMAS}}, | |||
[[Hartree-Fock_and_HF/DFT_hybrid_functionals|hybrid functionals]], | [[Hartree-Fock_and_HF/DFT_hybrid_functionals|hybrid functionals]], | ||
[[Hartree-Fock_and_HF/DFT_hybrid_functionals#range_separated|range separated hybrid functionals]], | [[Hartree-Fock_and_HF/DFT_hybrid_functionals#range_separated|range separated hybrid functionals]], | ||
[[specific_hybrid_functionals|settings for specific hybrid functionals]] | [[specific_hybrid_functionals|settings for specific hybrid functionals]] | ||
{{sc|HFSCREEN|Examples|Examples that use this tag}} | |||
---- | ---- | ||
[[Category:INCAR]][[Category:Hybrids]] | [[Category:INCAR]][[Category:XC Functionals]][[Category:Hybrids]] | ||
Revision as of 15:59, 14 March 2019
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 (HFSCREEN=0.3) or HSE06 (HFSCREEN=0.2) functionals.
Related Tags and Sections
AEXX, AGGAX, AGGAC, ALDAC, LTHOMAS, hybrid functionals, range separated hybrid functionals, settings for specific hybrid functionals