# 63-atom cell : C-diamond with one vacancy. Low energy cut-off,
# but not very low. Unrelaxed. For speed testing purposes.

 acell 3*13.6
 diemac 1.0d0
 diemix 0.333333333333d0
 ecut 10
 enunit 2
 intxc 1
 kpt   1 1 1  kptnrm 4
 natom  63  nband  130
 kptopt 0

 nkpt  1
 nline 1
 nnsclo 1
 nstep 1
 nsym 4
 ntypat  1
 occopt  1
 ortalg -2
 prtvol 10
 rprim   1 0 0 0 1 0 0 0 1
 symrel  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

#Here is the object
 xred 0.000 0.000 0.000
     0.125 0.125 0.125
     0.250 0.250 0.000
     0.250 0.000 0.250
     0.000 0.250 0.250
     0.375 0.375 0.125
     0.375 0.125 0.375
     0.125 0.375 0.375
 natrd 8  # Eight coordinates to be read
 nobj 1   # Just one object
 objan 8  # Eight atoms in this object
 objaat 1 2 3 4 5 6 7 8 # Here are the ID numbers of the atoms of the object
 objarf 2 2 2 # Repeated 8 times
 objatr  0.0 0.0 0.0 #No initial translation
         6.8 0.0 0.0 #Translation of the first repetition factor
         0.0 6.8 0.0 #Translation of the second repetition factor
         0.0 0.0 6.8 #Translation of the third repetition factor
 vacnum 1 #One atom will be subtracted
 vaclst 1 #The atom to be subtracted  is number 1.

 tnons 12*0.0d0
 toldfe 1.0d-6
 typat  8*1
 wtk 1.0d0
 znucl 6

# Avoid print densities, wavefunctions and eigenvalues
 prteig 0
 prtden 0
 prtwf  0

 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosTM_pwteter/6c.pspnc"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t40.out,  tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00;
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% keywords = NC, CML
#%% authors = Unknown
#%% description = 
#%%   Diamond : vacancy.
#%%   This test is for testing a large number of atoms (63 atoms), with a large
#%%   number of plane waves (unlike test42).
#%%   Small number of line minimisations, of course.
#%% topics = AtomManipulator
#%%<END TEST_INFO>