HFSCREEN: Difference between revisions
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[[specific_hybrid_functionals|settings for specific hybrid functionals]] | [[specific_hybrid_functionals|settings for specific hybrid functionals]] | ||
== | == Example Calculations 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}} | {{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}} | ||
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Revision as of 11:57, 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
Example Calculations 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