########################################################
#  Crystalline EuO
#  Test of initialisation using occopt=1 (default) and spinmagntarget
#  Computation of dielectric tensor
########################################################

   ndtset 4
   getwfk -1
   getwfk1 0

# For different datasets, different determinations of occupation numbers
          occopt1 1
  spinmagntarget1 7
           nstep1 35  # For the other datasets, the number of steps is smaller
           nline1 6

          occopt2 7
  spinmagntarget2 7

          occopt3 7   # No spinmagntarget to initialize dataset 3

          occopt4 7   # No spinat to initialize dataset 4
  spinmagntarget4 7   # But work with spinmagntarget
  spinat4   0 0 0
            0 0 0

 tsmear 0.001
  kptopt    1            # Automatic generation of k points with symmetries

#Magnetism
 nsppol 2
 spinat 0 0 7
        0 0 0

#######################################################################
#Common input variables

#Definition of the unit cell
    acell 3*9.80
    rprim   0.0  0.5  0.5
            0.5  0.0  0.5
            0.5  0.5  0.0
#Definition of the atom types
   ntypat   2
    znucl   63 8
#Definition of the atoms
    natom   2
    typat   1 2
     xred   0.0  0.0  0.0
            0.5  0.5  0.5
#Number of band
    nband   20
#Definition of the planewave basis set
     ecut   15    # Reduced cut off : should be e.g. 30
#Definition of the k-point grid
    ngkpt   2 2 2
  nshiftk   4
   shiftk   0.0 0.0 0.5
            0.0 0.5 0.0
            0.5 0.0 0.0
            0.5 0.5 0.5
#Definition of the SCF procedure
    nstep   3 
   diemac   4.0
   tolvrs   1.0d-15
#PAW parameters
pawecutdg  30
 pawxcdev   0  # Test this value within DFPT

#DFT+U
   ixc 7
usepawu   1
lpawu   3  -1
upawu   7.5   0.0  eV
jpawu   0.6   0.0  eV

 pp_dirpath "$ABI_PSPDIR"
 pseudos "Eu_GGA_27e_10p.pawps, O_GGA-rc12_xc0.paw"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t22.out, tolnlines=   40,   tolabs=  1.1e-1,      tolrel= 2.0e-1, fld_options = -easy
#%% [paral_info]
#%% max_nprocs = 2
#%% [extra_info]
#%% authors = B. Amadon
#%% keywords =  PAW
#%% description = 
#%%    EuO rock salt structure.
#%%    27-electron PAW pseudo (4f and 5d are explicitly treated : 4d10 4f7 5s2 5p6 (5d0) 6s2 )
#%%    Test of initialisation using occopt=1 (the default) with non-zero spinmagntarget,
#%%    and also metallic occopt. Also test pawxcdev=0
#%% topics = DFT+U
#%%<END TEST_INFO>