# Fake H crystal.
# Test the recognition of some enantiomorph space groups

ndtset 5

# Dataset 1 : P4_1   space group 76
 acell1   6 6 10
 natom1   4
  typat1   4*1
  xred1   0.10  0.01 0.0
         -0.01  0.10 0.25
         -0.10 -0.01 0.50
          0.01 -0.10 0.75

# Dataset 2 : P3_112   space group 151
  acell2   6 6 10
 angdeg2   90 90 120   ! hexagonal
  natom2   3
   typat2   3*1
   xred2   0.20  0.10 0.0
          -0.10  0.10 1/3
          -0.10 -0.20 2/3

# Dataset 3 : P3_121   space group 152
  acell3   6 6 10
 angdeg3   90 90 120   ! hexagonal
  natom3   3
   typat3   3*1
   xred3   0.10  0.00 0.0
           0.00  0.10 1/3
          -0.10 -0.10 2/3

# Dataset 4 : P6_122   space group 178
  acell4   6 6 10
 angdeg4   90 90 120   ! hexagonal
  natom4   6
   typat4   6*1
   xred4   0.10  0.00 0.0
           0.10  0.10 1/6
           0.00  0.10 1/3
          -0.10  0.00 0.5
          -0.10 -0.10 2/3
           0.00 -0.10 5/6

# Dataset 5 : P6_222   space group 180
  acell5   6 6 10
 angdeg5   90 90 120   ! hexagonal
  natom5   6
   typat5   6*1
   xred5   0.10  0.00 0.0
           0.10  0.10 1/3
           0.00  0.10 2/3
          -0.10  0.00 0.0
          -0.10 -0.10 1/3
           0.00 -0.10 2/3


# Common data
prtvol -1          # stop in abinit (main program), before call driver
ntypat 1
znucl 1
ecut 1
  kptopt 0
nkpt 1
nline 1
nstep 1
toldfe 1.0d-6

 pp_dirpath "$ABI_PSPDIR"
 pseudos "01h.bare"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t21.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% authors = Unknown
#%% keywords = 
#%% description = 
#%%   H based fake crystals.
#%%   Test the recognition of several enantiomorph space groups :
#%%   76, 151, 152, 178 and 180.
#%% topics = crystal
#%%<END TEST_INFO>