#Spin
nsppol 1
nspden 2
nspinor 1
spinat 0 0 1
       0 0 -1
       0 0 0
       0 0 0

#Parameters
nstep  50
ecut 15
pawecutdg 30
toldfe 1.0d-8
nband  40
occopt 7  tsmear 0.015

#Structural parameters
natom 4
ntypat 2
typat 1 1 2 2
znucl 28 8
xred 0 0 0
    0.0 0.0 0.5
    0.5 0.5 0.25
    0.5 0.5 0.75

acell   3*7.92

rprim 0.0 1/2 1/2
      1/2 0.0 1/2
      1.0 1.0 0.0

# Kpoint Grid
ngkpt 2 2 2
chksymbreak 0  # The k point grid is not symmetric, but the calculations being for the ground-state, this is not a problem.

# DFT+U
usepawu   1
lpawu   2 -1
upawu  8.0 0.0 eV
jpawu  0.8 0.0 eV

 pp_dirpath "$ABI_PSPDIR"
 pseudos "Pseudodojo_paw_pbe_standard/Ni.xml, Pseudodojo_paw_pbe_standard/O.xml"

##############################################################
# This section is used only for regression testing of ABINIT #
##############################################################
#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   tdftu_2.abo, tolnlines=  7, tolabs=  1.010e-02, tolrel=  2.000e-03, fld_options = -easy
#%% output_file = "tdftu_2.abo"
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% authors = Unknown
#%% keywords = DFTU, PAW
#%% description = second run of the DFT+U tutorial
#%%<END TEST_INFO>
