# Added by runtests.py
output_file = "tspin_2.abo"
indata_prefix = "tspin_2i"
outdata_prefix = "tspin_2o"
tmpdata_prefix = "tspin_2t"
# end runtests.py section

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

# cutoff, k-points: 
   ecut  25.0
 ngkpt   4 4 2
nshiftk  1
 shiftk  0.5 0.5 0.5

# SCF:
 tolwfr   1.0d-7
  nstep   70

# Magnetism: Antiferromagnic order
 nsppol   1
 nspden   2
 spinat   0.0 0.0   4.0
          0.0 0.0  -4.0

# Crystal cell definition:
  natom   2
 ntypat   1
 znucl    26
  typat   1 1
   xred   0.0  0.0  0.0
          0.5  0.0  0.5

  acell   3*6.60
 rprim    0.5  -0.5  0.0
          0.5   0.5  0.0
          0.0   0.0  1.0

# Treating electron occupation:
  nband   20
 occopt   3
 tsmear   0.001

# Printing:
 prtdos  1  
 prtden  1


# Pseudo:
 pp_dirpath "$ABI_PSPDIR"
 pseudos "Pseudodojo_nc_sr_04_pw_standard_psp8/Fe.psp8"

##############################################################
# This section is used only for regression testing of ABINIT #
##############################################################
#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   tspin_2.abo, tolnlines = 60, tolabs = 0.000e+00, tolrel = 0.000e+00, fld_options=-medium
#%% [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
#%%<END TEST_INFO>
