gridxc_hybrids Module

Contents

Subroutines

HSEXC PBE0XC

Subroutines

public subroutine HSEXC(Irel, Nspin, Dens, Gdens, Ex, Ec, Dexdd, Decdd, Dexdgd, Decdgd)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	Irel
integer,	intent(in)			::	Nspin
real(kind=dp),	intent(in)			::	Dens(Nspin)
real(kind=dp),	intent(in)			::	Gdens(3,Nspin)
real(kind=dp),	intent(inout)			::	Ex
real(kind=dp),	intent(inout)			::	Ec
real(kind=dp),	intent(inout)			::	Dexdd(Nspin)
real(kind=dp),	intent(inout)			::	Decdd(Nspin)
real(kind=dp),	intent(inout)			::	Dexdgd(3,Nspin)
real(kind=dp),	intent(inout)			::	Decdgd(3,Nspin)

public subroutine PBE0XC(Irel, Nspin, Dens, Gdens, Ex, Ec, Dexdd, Decdd, Dexdgd, Decdgd)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	Irel
integer,	intent(in)			::	Nspin
real(kind=dp),	intent(in)			::	Dens(Nspin)
real(kind=dp),	intent(in)			::	Gdens(3,Nspin)
real(kind=dp),	intent(inout)			::	Ex
real(kind=dp),	intent(inout)			::	Ec
real(kind=dp),	intent(inout)			::	Dexdd(Nspin)
real(kind=dp),	intent(inout)			::	Decdd(Nspin)
real(kind=dp),	intent(inout)			::	Dexdgd(3,Nspin)
real(kind=dp),	intent(inout)			::	Decdgd(3,Nspin)