# Nickel ferromagnetic fcc structure for testing ecut convergence

#  ndtset 8    # Uncomment this line to recover the results for the tutorial
   ndtset 1    # Comment this line to recover the results for the tutorial

   ecut:  8.
   ecut+  2.

pawecutdg 40.

  nstep   6  # This is a too small number of steps, taken for reasons of portability ...
 tolvrs   1.0d-9
 occopt   7
 tsmear   0.0075

 nline   6
 tolrde  0.0001   # This is to improve the convergence, helping for such magnetic material,
                  # and obtain a portable test

 ntypat   1
  acell   3*3.52 angstrom
  rprim   0.0 1/2 1/2
          1/2 0.0 1/2
          1/2 1/2 0.0
  natom   1
  typat   1
   xred   0.0  0.0  0.0
  znucl   28
  nband   14

  nsppol  2
  spinat  0. 0. 4.
 
  ngkpt   6 6 6
nshiftk   4
 shiftk   1/2 1/2 1/2
          1/2 0.0 0.0
          0.0 1/2 0.0
          0.0 0.0 1/2
 
 getwfk -1
 prteig 0 prtden 0


#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% use_files_file = yes
#%% test_chain = t03.in, t04.in
#%% [files]
#%% files_to_test = t04.out, tolnlines=   88,   tolabs=  3.1e-2,    tolrel=  7.50e-2, fld_options = -easy
#%% psp_files = Ni.GGA-PBE-paw.abinit 
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% authors = M. Torrent
#%% keywords = PAW
#%% description = Bulk Nickel, using the atomic data file generated in test 03
#%%<END TEST_INFO>