# Crystalline cfc Gold : computation of the total energy
# Slabs + vacuum (50 / 50 )

ndtset 1
nstep  7

#mixing parameters
iscf 2 # Simple mixing to test preconditioner
diemix 0.3
iprcel 75
diemac 100

## system dependant information
acell   3*4.0782 angstroms
ecut    3.0
znucl   79
ngkpt   2 2 1
nshiftk 2
shiftk  0.5 0.0 0.0
        0.0 0.5 0.0


 rprim    0.500000000000000      -0.500000000000000        0.00000000000000
          0.500000000000000       0.500000000000000        0.00000000000000
           0.00000000000000        0.00000000000000        8.00000000000000
 natom             8
 nband             6
 typat             8*1
 xred
   0.00000000000000        0.00000000000000       1.249999996844053E-007 #  Intentional lowering of symmetry group, to allow charge sloshing to develop
   0.500000000000000       0.500000000000000       6.250012499999968E-002
   0.00000000000000        0.00000000000000       0.125000000000000
   0.500000000000000       0.500000000000000       0.187500000000000
   0.00000000000000        0.00000000000000       0.250000000000000
   0.500000000000000       0.500000000000000       0.312500000000000
   0.00000000000000        0.00000000000000       0.375000000000000
   0.500000000000000       0.500000000000000       0.43750000000000
 tolsym 1.0e-8  # In order to enforce the lowering of symmetry due to the above displacements of atoms, need to change tolsym


ntypat 1
occopt 4
tsmear 0.005
toldfe 1.0d-11
prtwf 0


 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosHGH_pwteter/79au.1.hgh"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t73.out, tolnlines = 23, tolabs = 4.0e-06, tolrel = 1.1e-05, fld_options = -medium
#%% [paral_info]
#%% max_nprocs = 2
#%% [extra_info]
#%% authors = PM. Anglade
#%% keywords = 
#%% description = 
#%%   Simple test for rsprc preconditionner (not already effective)
#%%   simple scf calculation
#%%   following part of the code are tested:
#%%   04rsprc/prcrscgres.F90
#%%   01cg/*
#%%<END TEST_INFO>