XC: Difference between revisions

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*Mixing consisting of 50% PBE{{cite|perdew:prl:1996}} and 50% of PBEsol{{cite|perdew:prl:2008}}
*Mixing consisting of 50% PBE{{cite|perdew:prl:1996}} and 50% of PBEsol{{cite|perdew:prl:2008}}
  {{TAG|XC}} =  
  {{TAG|XC}} = PE PS
 
{{TAG|XC_C}} = 0.5 0.5
 





Revision as of 15:35, 29 January 2024

XC = Combination of functionals 

Description: XC specifies a combination of exchange-correlation functionals.


A combination of semilocal functionals can be set with the XC tag. The functionals that can be combined are the GGA and METAGGA functionals implemented in VASP as well as the functionals implemented in Libxc.

Examples of INCAR

  • Mixing consisting of 50% PBE[1] and 50% of PBEsol[2]
XC = PE PS
XC_C = 0.5 0.5


Related tags and articles

XC_C, LIBXC1, LIBXC2, ALDAX, ALDAC, AGGAX, AGGAC, GGA, METAGGA

Examples that use this tag

References