HFSCREEN: Difference between revisions

Revision as of 09:55, 19 March 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 that use this tag

Contents

@@ Line 15: / Line 15: @@
 [[specific_hybrid_functionals|settings for specific hybrid functionals]]
-== Example Calculations using this Tag ==
+{{sc|HFSCREEN|Examples|Examples that use 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|Model BSE calculation on Si}}, {{TAG|NiO HSE06}}, {{TAG|Si bandstructure}}, {{TAG|Si HSE bandstructure}}
 ----
 [[The_VASP_Manual|Contents]]
 [[Category:INCAR]][[Category:Hybrids]]