HFSCREEN: Difference between revisions
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[[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]] | ||
== Examples using this Tag == | |||
{{TAG|bandgap of Si using different DFT+HF methods}}, {{TAG|bandstructure of SrVO3 in GW}}, {{TAG|fcc Ni DOS with hybrid functional}}, {{TAG|MgO optimum mixing}}, {{TAG|Si bandstructure}} | |||
---- | ---- | ||
[[The_VASP_Manual|Contents]] | [[The_VASP_Manual|Contents]] | ||
[[Category:INCAR]][[Category:Hybrids]] | [[Category:INCAR]][[Category:Hybrids]] | ||
Revision as of 11:50, 15 February 2017
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
Examples using this Tag
bandgap of Si using different DFT+HF methods, bandstructure of SrVO3 in GW, fcc Ni DOS with hybrid functional, MgO optimum mixing, Si bandstructure