#  Isolated Bi atom. Try alchemical mixing for spin-orbit.

  ndtset   4

    npsp   3  # Read three pseudopotentials
   znucl   83.d0  83.d0  83.d0
  so_psp   2      2      0

   ntypat  2            # Two types of pseudo-atom
 ntypalch  1            # One pseudo-atom is alchemical
  mixalch1 0.999 0.001
  mixalch2 0.5   0.5
  mixalch3 0.001 0.999
  mixalch4 1.0   0.0   # Irrelevant, as only the first type of psp is needed for dtset 4,
                       # but needed for the job to run
    typat  2
    typat4 1
    natom  1


   nband   8
 nspinor   2
  nsppol   1
  nspden   1
    nsym   1

  kptopt 0
  occopt   7
  tsmear   0.02

#Common data
   acell   3*10   #This parameter is of course for testing purposes only
    xred   3*0.0

    ecut   8
   nstep   20

  toldfe   1.0d-7


 pp_dirpath "$ABI_PSPDIR"
 pseudos "83bi_halfso.psphgh, PseudosHGH_pwteter/83bi.5.hgh, PseudosHGH_pwteter/83bi.5.hgh"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t44.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% authors = Unknown
#%% keywords = 
#%% description = 
#%%   Bismuth atom, isolated, in a supercell.
#%%   Try alchemical pseudopotentials with spin-orbit.
#%%   Spinor calculation (nspinor=2, nspden=1, nsppol=1)
#%%   Metallic occupations.
#%%   Also compare the halved spin-orbit interaction alchemical mixing
#%%   with a pseudopotential directly prepared with halved spin-orbit interaction.
#%%   The agreement is perfect.
#%% topics = AtomTypes
#%%<END TEST_INFO>