# Fake H crystal.
# Test trigonal and hexagonal spacegroups
# (Razvan : this one is already complete !)

ndtset 52

spgroup: 143
spgroup+ 1

spgroupma1   3   spgroupma2   6   spgroupma3   9   spgroupma4  12  spgroupma5  16
spgroupma6  20   spgroupma7  24   spgroupma8  28   spgroupma9  32  spgroupma10 36
spgroupma11 40   spgroupma12 44   spgroupma13 48   spgroupma14 52  spgroupma15 56
spgroupma16 60   spgroupma17 64   spgroupma18 68   spgroupma19 72  spgroupma20 78
spgroupma21 84   spgroupma22 90   spgroupma23 96   spgroupma24 102  spgroupma25 108
spgroupma26 112   spgroupma27 116   spgroupma28 120   spgroupma29 124  spgroupma30 128
spgroupma31 132   spgroupma32 136   spgroupma33 142   spgroupma34 148  spgroupma35 154
spgroupma36 160   spgroupma37 166   spgroupma38 172   spgroupma39 178  spgroupma40 184
spgroupma41 190   spgroupma42 196   spgroupma43 202   spgroupma44 208  spgroupma45 214
spgroupma46 220   spgroupma47 226   spgroupma48 232   spgroupma49 242  spgroupma50 252
spgroupma51 262   spgroupma52 272

#This is for spgroup 143 to 146
natom1 6     natom2 6     natom3 6     natom4 6

natom  12    # this is for spgroup 147 to 161  and 168 to 174

#This is for spgroup 162 to 167
natom20 24    natom21 24   natom22 24   natom23 24
natom24 24    natom25 24

#This is for spgroup 175 to 190
natom33 24    natom34 24  natom35 24   natom36 24
natom37 24    natom38 24  natom39 24   natom40 24
natom41 24    natom42 24  natom43 24   natom44 24
natom45 24    natom46 24  natom47 24   natom48 24

#This is for spgroup 191 to 194
natom49 48    natom50 48   natom51 48   natom52 48



#This is for hR Bravais lattice
acell4  8 8 8      angdeg4   85 85 85    spgaxor4  2  # spgroup 146
acell6  8 8 8      angdeg6   85 85 85    spgaxor6  2  # spgroup 148
acell13  8 8 8     angdeg13   85 85 85   spgaxor13 2  # spgroup 155
acell18  8 8 8     angdeg18   85 85 85   spgaxor18 2  # spgroup 160
acell19  8 8 8     angdeg19   85 85 85   spgaxor19 2  # spgroup 161
acell24  8 8 8     angdeg24   85 85 85   spgaxor24 2  # spgroup 166
acell25  8 8 8     angdeg25   85 85 85   spgaxor25 2  # spgroup 167

#This is for hP Bravais lattice
acell 8 8 9
angdeg  90 90 120


# Common data
prtvol -1          # stop in abinit (main program), before call driver.
brvltt -1          # important to reduce the conventional cell to primitive,
                   # and allow the recognition of space group
ntypat 1
znucl 1
natrd 1
xred 0.17 0.15 0.11
spinat 0.0 0.0 1.0
typat 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 = 
#%%   t38.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 : magnetic groups, Shubnikov type IV
#%%   Test the generation and recognition of the trigonal and hexagonal space groups
#%%<END TEST_INFO>