# Test Fe XML pseudopotential with and without sppol - ONCVPSP

ndtset 2
nsppol1 1
nsppol2 2
spinat2 0 0 5.0

acell 3*2.870 Angstr
ecut 10
kptopt 1
ngkpt 6 6 6
occopt 4
tsmear 0.001
nstep1 20
nstep2 40
natom 1
ntypat 1
typat 1
znucl 26
xred 3*0

rprim  
-0.5  0.5  0.5
 0.5 -0.5  0.5
 0.5  0.5 -0.5
toldfe1 1.0d-8
toldfe2 1.0d-5
nband 12
ixc -101130

 pp_dirpath "$ABI_PSPDIR"
 pseudos "26_Fe_oncv.psml"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%  t06.out, tolnlines = 32, tolabs = 1.1e-06, tolrel = 9.00e-01
#%% [paral_info]
#%% max_nprocs = 14
#%% [extra_info]
#%% authors = M. Verstraete, Y. Pouillon
#%% keywords = NC
#%% description = 
#%%   Bulk iron, with and without spin-polarization 
#%%<END TEST_INFO>