#MgO molecule : prepare the density
#for Bader analysis

 ntypat  2
 typat  1 2
 znucl  8 12

 acell 8 8 11
 natom  2
#xcart 2*0.00d0 -1.81d0
#      2*0.00d0  1.81d0
 xcart 2*0.00d0 0.00d0
       2*0.00d0 3.62d0

  prtden  1
    nkpt  1
  toldfe  1.0d-16
 ecut 30
 diemac 2.0
  kptopt 0
 nstep 23
 occopt 7


 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosTM_pwteter/8o.pspnc, PseudosTM_pwteter/12mg.pspnc"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% test_chain = t32.in, t33.in, t34.in
#%% [files]
#%% files_to_test = 
#%%   t32.out, tolnlines = 50, tolabs = 3.0e-06, tolrel = 7.000e-07
#%% [shell]
#%% post_commands = ww_cp t32o_DEN t33i_DEN; ww_mv t32o_DEN t34i_DEN
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% authors = Unknown
#%% keywords = 
#%% description = 
#%%   MgO molecule, with low cut-off, in a big box, and one k point.
#%%   Pseudopotentials WITHOUT a non-linear core correction.
#%%   Prepare the Bader density analysis
#%% topics = Bader
#%%<END TEST_INFO>