# Fake FeN crystal.
# Crystal structure from Alexey Dick

prtvol -1          # stop in abinit (main program), before call driver.

acell 3*24.45
rprim  0.345  0   0
       0      1   0
       0      0   0.345
chkprim 0

ntypat 2
znucl 26  7
natom     20
typat     12*1
           8*2

xred
 0    0    0
 0    1/3  0
 0    2/3  0

 1/2  0    1/2
 1/2  1/3  1/2
 1/2  2/3  1/2

 1/2  1/6  0
 1/2  1/2  0
 1/2  5/6  0

 0    1/6  1/2
 0    1/2  1/2
 0    5/6  1/2

 0    1/6  0
 1/2  1/3  0
 1/2  2/3  0
 0    5/6  0
 1/2  1/6  1/2
 0    1/3  1/2
 0    2/3  1/2
 1/2  5/6  1/2

nsppol 1
nspden 2
spinat  0 0  5
        0 0  5
        0 0  5
        0 0  5
        0 0  5
        0 0  5

        0 0 -5
        0 0 -5
        0 0 -5
        0 0 -5
        0 0 -5
        0 0 -5

        0 0  0
        0 0  0
        0 0  0
        0 0  0
        0 0  0
        0 0  0
        0 0  0
        0 0  0

ecut 1
  kptopt 0
nkpt 1
nline 1
nstep 1
toldfe 1.0d-6

 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosTM_pwteter/26fe.pspnc, PseudosTM_pwteter/7n.pspnc"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t99.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% authors = A. Dick
#%% keywords = 
#%% description = 
#%%   Test a fake antiferromagnetic Fe crystal :
#%%   recognition of symmetries when there is a small set of non-magnetic
#%%   atoms, and a larger set of antiferromagnetic atoms.
#%%   There was a bug in pre-4.5.3 versions.
#%%<END TEST_INFO>