# Run bcc Fe for a fixed lattice constant with a constrained spin moment

ndtset 1
spinmagntarget 0.50

getwfk -1

nband 6

# Spin-polarized calculation
 nsppol 2
 spinat 0.0 0.0 3.0

ixc 11

# Unit cell parameters
 acell 3*5.4235
 rprim -0.5  0.5  0.5
        0.5 -0.5  0.5
        0.5  0.5 -0.5

# Chemical cell type
 ntypat 1
 znucl 26.0
 natom 1
 typat  1
 xred 0.0 0.0 0.0

# Stop before convergence, for speed
 nstep 15
 toldfe 1.0d-8

# PW cutoff
 ecut 18.0

# Fermi-Dirac occupation numbers
 occopt 3
 tsmear 0.0073

# Automatic generation of k-points
 kptopt 1
 ngkpt  4 4 4
 nshiftk 2
 shiftk
   0.25  0.25  0.25
  -0.25 -0.25 -0.25

diemac 1.0
diemix 0.5

 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosTM_pwteter/26fe.pspnc"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t51.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
#%% [paral_info]
#%% max_nprocs = 16
#%% [extra_info]
#%% authors = Unknown
#%% keywords = 
#%% description = 
#%%   Fe BCC crystal.
#%%   Constraint the magnetic moment, using the input variable spinmagntarget.
#%% topics = spinpolarisation
#%%<END TEST_INFO>