HFSCREEN

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Revision as of 16:13, 21 February 2017 by Karsai (talk | contribs)

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, Model BSE calculation on Si, NiO HSE06, Si bandstructure, Si HSE bandstructure


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