Exchange-correlation functionals

The following functionals are implemented within XCFun

SLATERX	Slater LDA exchange
PW86X	PW86 exchange
VWN5C	VWN5 LDA Correlation functional
PBEC	PBE correlation functional
PBEX	PBE Exchange Functional
BECKEX	Becke 88 exchange
BECKECORRX	Becke 88 exchange correction
BECKESRX	Short range Becke 88 exchange
LDAERFX	Short-range spin-dependent LDA exchange functional
LDAERFC	Short-range spin-dependent LDA correlation functional
LDAERFC_JT	Short-range spin-unpolarized LDA correlation functional
LYPC	LYP correlation
OPTX	OPTX Handy & Cohen exchange
REVPBEX	Revised PBE Exchange Functional
RPBEX	RPBE Exchange Functional
SPBEC	sPBE correlation functional
VWN_PBEC	PBE correlation functional using VWN LDA correlation.
KTX	KT exchange GGA correction
TFK	Thomas-Fermi Kinetic Energy Functional
PW91X	Perdew-Wang 1991 GGA Exchange Functional
PW91K	PW91 GGA Kinetic Energy Functional
PW92C	PW92 LDA correlation
M05X	M05 exchange
M05X2X	M05-2X exchange
M06X	M06 exchange
M06X2X	M06-2X exchange
M06LX	M06-L exchange
M06HFX	M06-HF exchange
M05X2C	M05-2X Correlation
M05C	M05 Correlation
M06C	M06 Correlation
M06LC	M06-L Correlation
M06X2C	M06-2X Correlation
TPSSC	TPSS original correlation functional
TPSSX	TPSS original exchange functional
REVTPSSC	Revised TPSS correlation functional
REVTPSSX	Reviewed TPSS exchange functional
PZ81C	PZ81 LDA correlation
P86C	P86C GGA correlation
RANGESEP_MU	Range separation inverse length [1/a0]
EXX	Amount of exact (HF like) exchange (must be provided externally)

Implementing a new XC functional

Warning

To be written

Introducing new variables

Warning

To be written