# 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

#Data for each data set: how to get densities of state
 ngkpt1  6 6 4 
prtdos1  1

 ngkpt2  3 3 2
  iscf2  -3
getden2  1
prtdos2  3
natsph2  1
iatsph2  1
ratsph2  2.4

 ngkpt3  3 3 2
getden3  1
  iscf3  -3
prtdos3  3
natsph3  1
iatsph3  2
ratsph3  2.4


#Common data
 ntypat   1
  natom   2
  typat   1 1
  acell   3*6.60
  rprim   0.5  -0.5  0.0
          0.5   0.5  0.0
          0.0   0.0  1.0
   xred   0.0  0.0  0.0
          0.5  0.0  0.5
 spinat   0.0 0.0   4.0
          0.0 0.0  -4.0
   ecut   18.0
  znucl   26
  nband   16
 nsppol   2

nshiftk   1
 occopt   3

  nstep   70
 tolwfr   1.0d-7
 tsmear   0.01

 prtden   1
 prtkpt   1


 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosTM_pwteter/26fe.pspnc"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   tspin_3.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
#%% [paral_info]
#%% max_nprocs = 4
#%% [extra_info]
#%% authors = Unknown
#%% keywords = NC
#%% description = 
#%%   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
#%% topics = ElecDOS
#%%<END TEST_INFO>