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OEPMixingScheme
OEPMixingScheme
Section Hamiltonian::XC
Type integer
Default 1.0
Different Mixing Schemes are possible
Options :
OEP_MIXING_SCHEME_CONST :
Use a constant
Reference: S. Kuemmel and J. Perdew, Phys. Rev. Lett. 90 , 4, 043004 (2003)
OEP_MIXING_SCHEME_BB :
Use the Barzilai-Borwein (BB) Method
Reference: T. W. Hollins, S. J. Clark, K. Refson, and N. I. Gidopoulos,
Phys. Rev. B 85 , 235126 (2012)
OEP_MIXING_SCHEME_DENS :
Use the inverse of the electron density
Reference: S. Kuemmel and J. Perdew, Phys. Rev. B 68 , 035103 (2003)
Source information
electrons/xc_oep.F90 : 215
call parse_variable ( namespace , 'OEPMixingScheme' , OEP_MIXING_SCHEME_CONST , oep % mixing_scheme )