ETOTB1 Subroutine

public subroutine ETOTB1(EFERMI, LMAXATOM, ENERGYPARTS, CORESTATE, NSPIN, NATOM, LPOTD)

Calculate the total energy of the cluster. gather all energy-parts which are calculated in different subroutines . since the program uses group theory only shell-indices are used instead of atom-indices .

B. Drittler May 1987

modified for supercells with nshell(i) atoms of type i in the unit cell P. Zahn Oct. 95

adopted for more atoms per site (CPA) V. Popescu Feb. 02

Arguments

Type	Intent	Optional	Attributes		Name
double precision				::	EFERMI
integer				::	LMAXATOM(NATOM)
type(ENERGYPARTS_TYPE)				::	ENERGYPARTS
type(corestate_type)				::	CORESTATE(NATOM)
integer				::	NSPIN
integer				::	NATOM
integer				::	LPOTD