# Fe fcc structure with two atoms per unit cell for test of antiferromagnetic
# This is the simplest fcc structure compatible with a X point spiral



ndtset 3
prtkpt 1
getden -1
#data for each data set: how to get densities of state
iscf1   5  iscf2   -2  iscf3   -2
ngkpt1   6 6 4 ngkpt2 3 3 2 ngkpt3 3 3 2
prtdos1 1  prtdos2 3   prtdos3  3
natsph2 1  natsph3 1
iatsph2 1  iatsph3 2
ratsph2  2.4 ratsph3 2.4
#Common data
 kptopt   1
 prtden   1
 spinat 0.0 0.0   4.0
        0.0 0.0  -4.0
 tolwfr   1.0d-7
  acell   3*6.60
   ecut   18.0
  natom   2
  nband   16
 nshiftk   1
  nsppol   2
  nstep   70
 ntypat   1
 occopt   3
  rprim    0.5  -0.5  0.0
           0.5   0.5  0.0
           0.0   0.0  1.0
 #shiftk   0.5 0.5 0.5
 tsmear   0.01
  typat   1 1
   xred   0.0  0.0  0.0
          0.5  0.0  0.5
 znucl    26
