c ***********************************************
c AkaiKKR(Machikaneyama) input file
c   for fcc Nickel-Iron alloy
c ***********************************************

c ***********************************************
c pure Nickel
c ***********************************************
c *** Self-consistent calculation ***
 go    data/ni
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag init
 update  4  100 0.02
 1
 Ni  1  0  0  2   28   100
 1 
 0 0 0 Ni
c *** Density of States (DOS) calculation ***
 dos    data/ni
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag 2nd
 update  13  100 0.02
 1
 Ni  1  0  0  2   28   100
 1 
 0 0 0 Ni

c ***********************************************
c Nickel + 5% Iron
c ***********************************************
c *** Self-consistent calculation ***
 go    data/ni95fe5
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag init
 update  4  100 0.02
 1
 NiFe  2  0  0  2   28   95
                    26    5
 1 
 0 0 0 NiFe
c *** Density of States (DOS) calculation ***
 dos    data/ni95fe5
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag 2nd
 update  13  100 0.02
 1
 NiFe  2  0  0  2   28   95
                    26    5
 1 
 0 0 0 NiFe

c ***********************************************
c Nickel + 10% Iron
c ***********************************************
c *** Self-consistent calculation ***
 go    data/ni90fe10
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag init
 update  4  100 0.02
 1
 NiFe  2  0  0  2   28   90
                    26   10
 1 
 0 0 0 NiFe
c *** Density of States (DOS) calculation ***
 dos    data/ni90fe10
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag 2nd
 update  13  100 0.02
 1
 NiFe  2  0  0  2   28   90
                    26   10
 1 
 0 0 0 NiFe

c ***********************************************
c Nickel + 15% Iron
c ***********************************************
c *** Self-consistent calculation ***
 go    data/ni85fe15
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag init
 update  4  100 0.02
 1
 NiFe  2  0  0  2   28   85
                    26   15
 1 
 0 0 0 NiFe
c *** Density of States (DOS) calculation ***
 dos    data/ni85fe15
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag 2nd
 update  13  100 0.02
 1
 NiFe  2  0  0  2   28   85
                    26   15
 1 
 0 0 0 NiFe

c ***********************************************
c Nickel + 20% Iron
c ***********************************************
c *** Self-consistent calculation ***
 go    data/ni80fe20
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag init
 update  4  100 0.02
 1
 NiFe  2  0  0  2   28   80
                    26   20
 1 
 0 0 0 NiFe
c *** Density of States (DOS) calculation ***
 dos    data/ni80fe20
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag 2nd
 update  13  100 0.02
 1
 NiFe  2  0  0  2   28   80
                    26   20
 1 
 0 0 0 NiFe

c ***********************************************
c Nickel + 25% Iron
c ***********************************************
c *** Self-consistent calculation ***
 go    data/ni75fe25
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag init
 update  4  100 0.02
 1
 NiFe  2  0  0  2   28   75
                    26   25
 1 
 0 0 0 NiFe
c *** Density of States (DOS) calculation ***
 dos    data/ni75fe25
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag 2nd
 update  13  100 0.02
 1
 NiFe  2  0  0  2   28   75
                    26   25
 1 
 0 0 0 NiFe

c ***********************************************
c Nickel + 30% Iron
c ***********************************************
c *** Self-consistent calculation ***
 go    data/ni70fe30
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag init
 update  4  100 0.02
 1
 NiFe  2  0  0  2   28   70
                    26   30
 1 
 0 0 0 NiFe
c *** Density of States (DOS) calculation ***
 dos    data/ni70fe30
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag 2nd
 update  13  100 0.02
 1
 NiFe  2  0  0  2   28   70
                    26   30
 1 
 0 0 0 NiFe

c ***********************************************
c Nickel + 35% Iron
c ***********************************************
c *** Self-consistent calculation ***
 go    data/ni65fe35
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag init
 update  4  100 0.02
 1
 NiFe  2  0  0  2   28   65
                    26   35
 1 
 0 0 0 NiFe
c *** Density of States (DOS) calculation ***
 dos    data/ni65fe35
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag 2nd
 update  13  100 0.02
 1
 NiFe  2  0  0  2   28   65
                    26   35
 1 
 0 0 0 NiFe

c ***********************************************
c Nickel + 40% Iron
c ***********************************************
c *** Self-consistent calculation ***
 go    data/ni60fe40
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag init
 update  4  100 0.02
 1
 NiFe  2  0  0  2   28   60
                    26   40
 1 
 0 0 0 NiFe
c *** Density of States (DOS) calculation ***
 dos    data/ni60fe40
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag 2nd
 update  13  100 0.02
 1
 NiFe  2  0  0  2   28   60
                    26   40
 1 
 0 0 0 NiFe

c ***********************************************
c Nickel + 45% Iron
c ***********************************************
c *** Self-consistent calculation ***
 go    data/ni55fe45
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag init
 update  4  100 0.02
 1
 NiFe  2  0  0  2   28   55
                    26   45
 1 
 0 0 0 NiFe
c *** Density of States (DOS) calculation ***
 dos    data/ni55fe45
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag 2nd
 update  13  100 0.02
 1
 NiFe  2  0  0  2   28   55
                    26   45
 1 
 0 0 0 NiFe

c ***********************************************
c Nickel + 50% Iron
c ***********************************************
c *** Self-consistent calculation ***
 go    data/ni50fe50
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag init
 update  4  100 0.02
 1
 NiFe  2  0  0  2   28   50
                    26   50
 1 
 0 0 0 NiFe
c *** Density of States (DOS) calculation ***
 dos    data/ni50fe50
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag 2nd
 update  13  100 0.02
 1
 NiFe  2  0  0  2   28   50
                    26   50
 1 
 0 0 0 NiFe

c ***********************************************
c Nickel + 55% Iron
c ***********************************************
c *** Self-consistent calculation ***
 go    data/ni45fe55
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag init
 update  4  100 0.02
 1
 NiFe  2  0  0  2   28   45
                    26   55
 1 
 0 0 0 NiFe
c *** Density of States (DOS) calculation ***
 dos    data/ni45fe55
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag 2nd
 update  13  100 0.02
 1
 NiFe  2  0  0  2   28   45
                    26   55
 1 
 0 0 0 NiFe

c ***********************************************
c Nickel + 60% Iron
c ***********************************************
c *** Self-consistent calculation ***
 go    data/ni40fe60
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag init
 update  4  100 0.02
 1
 NiFe  2  0  0  2   28   40
                    26   60
 1 
 0 0 0 NiFe
c *** Density of States (DOS) calculation ***
 dos    data/ni40fe60
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag 2nd
 update  13  100 0.02
 1
 NiFe  2  0  0  2   28   40
                    26   60
 1 
 0 0 0 NiFe

c ***********************************************
c Nickel + 65% Iron
c ***********************************************
c *** Self-consistent calculation ***
 go    data/ni35fe65
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag init
 update  4  100 0.02
 1
 NiFe  2  0  0  2   28   35
                    26   65
 1 
 0 0 0 NiFe
c *** Density of States (DOS) calculation ***
 dos    data/ni35fe65
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag 2nd
 update  13  100 0.02
 1
 NiFe  2  0  0  2   28   35
                    26   65
 1 
 0 0 0 NiFe

c ***********************************************
c Nickel + 70% Iron
c ***********************************************
c *** Self-consistent calculation ***
 go    data/ni30fe70
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag init
 update  4  100 0.02
 1
 NiFe  2  0  0  2   28   30
                    26   70
 1 
 0 0 0 NiFe
c *** Density of States (DOS) calculation ***
 dos    data/ni30fe70
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag 2nd
 update  13  100 0.02
 1
 NiFe  2  0  0  2   28   30
                    26   70
 1 
 0 0 0 NiFe

c ***********************************************
c Nickel + 75% Iron
c ***********************************************
c *** Self-consistent calculation ***
 go    data/ni25fe75
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag init
 update  4  100 0.02
 1
 NiFe  2  0  0  2   28   25
                    26   75
 1 
 0 0 0 NiFe
c *** Density of States (DOS) calculation ***
 dos    data/ni25fe75
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag 2nd
 update  13  100 0.02
 1
 NiFe  2  0  0  2   28   25
                    26   75
 1 
 0 0 0 NiFe

c ***********************************************
c Nickel + 80% Iron
c ***********************************************
c *** Self-consistent calculation ***
 go    data/ni20fe80
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag init
 update  4  100 0.02
 1
 NiFe  2  0  0  2   28   20
                    26   80
 1 
 0 0 0 NiFe
c *** Density of States (DOS) calculation ***
 dos    data/ni20fe80
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag 2nd
 update  13  100 0.02
 1
 NiFe  2  0  0  2   28   20
                    26   80
 1 
 0 0 0 NiFe

c ***********************************************
c Nickel + 85% Iron
c ***********************************************
c *** Self-consistent calculation ***
 go    data/ni15fe85
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag init
 update  4  100 0.02
 1
 NiFe  2  0  0  2   28   15
                    26   85
 1 
 0 0 0 NiFe
c *** Density of States (DOS) calculation ***
 dos    data/ni15fe85
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag 2nd
 update  13  100 0.02
 1
 NiFe  2  0  0  2   28   15
                    26   85
 1 
 0 0 0 NiFe

c ***********************************************
c Nickel + 90% Iron
c ***********************************************
c *** Self-consistent calculation ***
 go    data/ni10fe90
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag init
 update  4  100 0.02
 1
 NiFe  2  0  0  2   28   10
                    26   90
 1 
 0 0 0 NiFe
c *** Density of States (DOS) calculation ***
 dos    data/ni10fe90
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag 2nd
 update  13  100 0.02
 1
 NiFe  2  0  0  2   28   10
                    26   90
 1 
 0 0 0 NiFe

c ***********************************************
c Nickel + 95% Iron
c ***********************************************
c *** Self-consistent calculation ***
 go    data/ni5fe95
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag init
 update  4  100 0.02
 1
 NiFe  2  0  0  2   28   5
                    26   95
 1 
 0 0 0 NiFe
c *** Density of States (DOS) calculation ***
 dos    data/ni5fe95
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag 2nd
 update  13  100 0.02
 1
 NiFe  2  0  0  2   28   5
                    26   95
 1 
 0 0 0 NiFe

c ***********************************************
c pure Iron
c ***********************************************
c *** Self-consistent calculation ***
 go    data/ni0fe100
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag init
 update  4  100 0.02
 1
 NiFe  2  0  0  2   28   0
                    26   100
 1 
 0 0 0 NiFe
c *** Density of States (DOS) calculation ***
 dos    data/ni0fe100
 fcc    6.67 , , , , , ,
 0.001  1.2  nrl  mjw mag 2nd
 update  13  100 0.02
 1
 NiFe  2  0  0  2   28   0
                    26   100
 1 
 0 0 0 NiFe