# Crazy Si cell with 4 atoms. Orthorhombic unit cell
# Used to test the generation of symmetry matrices from
# input spatial group

 ndtset 3

# No use of the symmetry analyser
   nsym1    4
 symrel1  1  0  0   0  1  0   0  0  1
         -1  0  0   0  1  0   0  0  1
          1  0  0   0 -1  0   0  0  1
         -1  0  0   0 -1  0   0  0  1
   typat1 4*1
   xred1  .1 .2 .3
          .9 .2 .3
          .1 .8 .3
          .9 .8 .3

# Use analsym : start from asymmetric unit cell,
# use space group number to generate symmetry operations and
# full set of atoms
 spgroup2  25
 spgaxor2  1
 spgorig2  1
   natrd2  1
    typat2  1*1
    xred2  .1 .2 .3

# Use analsym : gives full unit cell as well as
# space group number, and performs check.
 spgroup3  25
 spgaxor3  1
 spgorig3  1
    typat3  4*1
    xred3  .1 .2 .3
           .9 .2 .3
           .1 .8 .3
           .9 .8 .3

#Common data
 acell 3*10.26311
 diemac 12.d0
 ecut 1.0
 enunit 2
 intxc 1
 kptopt 0
 kpt   1 1 1 -1 1 1 1 -1 1 1 1 -1 kptnrm 4
 natom  4 nband 8
 nkpt  4
 nline 1
 nstep 1
 ntypat  1
 occopt  1
 prtvol 10
 rprim   1 0 0 0 1 0 0 0 1
 tolwfr 1.0d-13
 wtk   4*1
 znucl 14

 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosGTH_pwteter/14si.pspgth"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t91.out ,tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
#%% [paral_info]
#%% max_nprocs = 4
#%% [extra_info]
#%% keywords = NC
#%% authors = Unknown
#%% description = 
#%%   Crazy 4-atom Si cell. Test the symmetrizer.
#%%   Dataset 1 : Full set of symmetries and full set of atoms, 
#%%   Dataset 2 : Spatial group index is given, with an irreducible set of atoms
#%%   Dataset 3 : Spatial group index is given, with a full set of atoms,
#%%   and checks are performed.
#%%<END TEST_INFO>