<FILE=INIFILE,INPUT=MODERN,TRACE=FALSE>
***********************************************************
<SECTION=HEAD
 Title = CeIrIn5                ! Compound title
<SECTION=CTRL>                  ! CONTROL PARAMETERS:
 LMTO = Bare                    ! set: Bare / Screened / Rspace
 FulPot = ASA                   ! set: ASA / PLW / IMP / FTB
<SECTION=EXCH>                  ! EXCHANGE-CORRELATION:
 LDA = Vosko                    ! set: none/Barth/Gunn/etc.
<SECTION=ITER>                  ! ITERATIVE PROCEDURES:
 Niter1 =1                      ! # of iterations in SCF loop
 AdmixB = 0.35000               ! Broyden mixing parameter
 Admix1 = 0.07000               ! initial mixing for density
 Lbroy =-1                      ! Broyden mixing for low l.le.lbroy
<SECTION=MAIN>                  ! MAIN ATOMIC DATA:
 nAtom =8                       ! # of atoms in the unit cell
 nSort =5                       ! # of sorts in the unit cell
 nSpin =2                       ! # of spins
 nOrbs =2                       ! 1-without/2 -with spin orbit coupling
 iS(:) =1 2 3 4 4 4 4 5         ! atom-to-sort pointer array
 Par0 = 8.83280                 ! lattice parameter in a.u.
<SECTION=SORT>                  ! SORT DATA:
 Name = Ce                      ! atom label
 Znuc = 58.0000                 ! nuclear charge
lmaxb =3                        ! lmax for the basis set
lmaxv =0                        ! lmax for the potential
lmaxt =3                        ! lmax for the wave functions
Split = 0.00000                 ! initial splitting
 <Subsection=LMTO>              ! Valence states:
                                !!!!!!  s p d f g  states for Ekap=(-0.10000, 0.00000)
 Mqn(:)=6 6 5 4                 ! main quantum numbers
 Bas(:)=1 1 1 1                 ! LMTO basis set
  Mnu(:)=0 0 0 0                ! choice of Enu(s)
  Enu(:)= 0.29009  1.27817  0.37844  0.60935
 Dnu(:)=-1.00000 -2.00000 -3.00000 -4.00000
 <Subsection=SEMI>              ! Semicore states:
 Nsem  = 0                      ! # of semicore states
<SECTION=SORT>                  ! SORT DATA:
 Name = Ir                      ! atom label
 Znuc = 77.0000                 ! nuclear charge
 lmaxb=3                        ! lmax for the basis set
 lmaxv=0                        ! lmax for the potential
 lmaxt=3                        ! lmax for the wave functions
 split= 0.00000                 ! initial splitting
<subsection=lmto>               ! Valence states:
 Mnu(:)=0 0 0 0                 ! choice of Enu(s)
 Enu(:)= 0.12970  0.28893  0.37223  0.50000
<SECTION=SORT>                  ! SORT DATA:
 Name = In                      ! atom label
 Znuc = 49.0000                 ! nuclear charge
 lmaxb=2                        ! lmax for the basis set
 lmaxv=0                        ! lmax for the potential
 lmaxt=2                        ! lmax for the wave functions
 split= 0.00000                 ! initial splitting
<subsection=lmto>               ! Valence states:
 Mnu(:)=0 0 0                   ! choice of Enu(s)
 Enu(:)= 0.14099  0.38204 -0.52743
<SECTION=SORT>                  ! SORT DATA:
 Name = In                      ! atom label
 Znuc = 49.0000                 ! nuclear charge
 lmaxb=2                        ! lmax for the basis set
 lmaxv=0                        ! lmax for the potential
 lmaxt=2                        ! lmax for the wave functions
 split= 0.00000                 ! initial splitting
<subsection=lmto>               ! Valence states:
 Mnu(:)=0 0 0                   ! choice of Enu(s)
 Enu(:)= 0.12869  0.35769 -0.52334
<SECTION=SORT>                  ! SORT DATA:
 Name = E                       ! atom label
 Znuc = 0.00000                 ! nuclear charge
 lmaxb=1                        ! lmax for the basis set
 lmaxv=0                        ! lmax for the potential
 lmaxt=1                        ! lmax for the wave functions
 split= 0.00000                 ! initial splitting
<subsection=lmto>               ! Valence states:
 Mnu(:)=0 0                     ! choice of Enu(s)
 Enu(:)= 0.30315  0.50000
<SECTION=FFTS>                  ! FFT GRIDS:
 nDiv(:) =9 9 5                 ! Tetrahedron mesh