# Test the identification of Bravais lattices
# by the symmetry finder

 ndtset 23

#Triclinic
  acell1 7.0  8.0  9.0
 angdeg1 85 90 95

#Primitive monoclinic
  acell2 7.0  8.0  9.0
 angdeg2 90 85 90

#Primitive orthorhombic
  acell3 7.0  8.0  9.0
  rprim3  1.0 0.0 0.0
          0.0 1.0 0.0
          0.0 0.0 1.0

  acell4 7.0  8.0  9.0
 angdeg4 90 90 90

#Primitive tetragonal
  acell5 7.0  7.0  9.0
  rprim5  1.0 0.0 0.0
          0.0 1.0 0.0
          0.0 0.0 1.0

  acell6 7.0  7.0  9.0
 angdeg6 90 90 90

#Rhombohedral
  acell7 7.0  7.0  7.0
 angdeg7 85 85 85

#Hexagonal
  acell8 7.0  7.0  9.0
 angdeg8 90 90 120

#Primitive cubic
  acell9 7.0  7.0  7.0
  rprim9  1.0 0.0 0.0
          0.0 1.0 0.0
          0.0 0.0 1.0

  acell10 7.0  7.0  7.0
 angdeg10 90 90 90

#Centered Monoclinic
  acell11 7.0  7.0  9.0
 angdeg11 80 80 95

  acell12 1.0 1.0 1.0
  rprim12 7.0 0.0 0.0
          3.5 8.0 0.0
          1.0 0.0 9.0

  acell13 1.0 1.0 1.0
  rprim13 3.5 4.0 0.0
          0.0 8.0 0.0
          1.0 0.0 9.0

  acell14 1.0 1.0 1.0
  rprim14 3.5  4.0 0.0
          0.0  8.0 0.0
          1.0 16.0 9.0

  acell15 9.0 7.0 7.0
 angdeg15 95 80 80

#One-Face-centered orthorhombic
  acell16 1.0 1.0 1.0
  rprim16 4.0 3.0 0.0
          0.0 6.0 0.0
          0.0 0.0 8.0

  acell17 1.0 1.0 1.0
  rprim17 4.0 -3.0 0.0
          4.0  3.0 0.0
          0.0  0.0 8.0


  acell18 1.0 1.0 1.0
  rprim18 4.0 -3.0 0.0
          4.0  3.0 0.0
         -8.0  0.0 8.0     #Should be equivalent to case 17
  ngfft18 10 10 20         #but the FFT grid cannot be equivalent

#Body-centered orthorhombic
  acell19 1.0 1.0 1.0
  rprim19 -2.0  3.0  4.0
           2.0 -3.0  4.0
           2.0  3.0 -4.0

#Face-centered orthorhombic
  acell20 1.0 1.0 1.0
  rprim20  0.0  3.0  4.0
           2.0  0.0  4.0
           2.0  3.0  0.0

#Face-centered tetragonal
  acell21 1.0 1.0 1.0
  rprim21  4.0  0.0  0.0
           2.0  2.0 -4.0
           2.0  2.0  4.0

#Body-centered cubic
  acell22 8.0 8.0 8.0
  rprim22 -0.5  0.5  0.5
           0.5 -0.5  0.5
           0.5  0.5 -0.5

#Face-centered cubic
  acell23 8.0 8.0 8.0
  rprim23  0.0  0.5  0.5
           0.5  0.0  0.5
           0.5  0.5  0.0


#Common data (completely silly)
 ecut 3.0
 intxc 1
 kptopt 0

 kpt 3*0.0
 natom 1
 nband 1
 nkpt 1
 nsym 0
 nstep 1
 ntypat  1
 toldff 1.d-8
 typat  1
 xred  0.6 0.0 0.0
 wtk 1.0d0
 znucl  12.0

 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosTM_pwteter/12mg.pspnc"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t15.out, tolnlines = 0, tolabs = 0.0, tolrel = 0.0
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% authors = Unknown
#%% keywords = 
#%% description = 
#%%   Test the symmetry finder for all the Bravais lattices,
#%%   with different input formats (rprim or angdeg), and for
#%%   non-conventional choices of axes as well.
#%%   Uses only one atom, placed at (0.6 0 0)
#%%   Similar to test v2#52, except for the choice of the location
#%%<END TEST_INFO>