#Test linear chain of atoms
#Two identical psps (Si+Si), but different mixing coefficients

 ndtset 2

 densty  1.1    ! This is needed to have exactly the same initialisation as previous tests
 ntypalch    1            # This pseudo-atom is alchemical
 mixalch1    0.2   0.8
 mixalch2    0.5   0.5

 znucl       14.0  14.0   # znucl(npsp) : twice Silicon

#Ground state
 nqpt 0

#Common data
    npsp   2            # Two pseudopotentials to be read
  ntypat   1            # Only one type of pseudo-atom
   acell   3*10.00
     amu   1.0d0
  diemac   1.5
    ecut   1.20
     ixc   3
  kptopt   0
     kpt   0.00000   0.00000  -0.37500
           0.00000   0.00000  -0.12500
           0.00000   0.00000   0.12500
           0.00000   0.00000   0.37500
   natom   2
   nband   4
   ngfft   3*16
    nkpt   4
   nstep   30
    nsym   1
  occopt   1
  prtden   1
   rprim   1.0  0.0  0.0
           0.0  1.0  0.0
           0.0  0.0  1.0
  symrel   1  0  0
           0  1  0
           0  0  1
    xred   0.0  0.0 -0.15
           0.0  0.0  0.15
   tnons   3*0.0
   typat   1 1
  tolwfr   1.e-22
     wtk   4*0.25

 pp_dirpath "$ABI_PSPDIR"
 pseudos "14si.Hamann_mod, 14si.Hamann_mod"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t94.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
#%% [paral_info]
#%% max_nprocs = 4
#%% [extra_info]
#%% authors = Unknown
#%% keywords = 
#%% description = 
#%%   Linear chain of X2 molecules (2 atoms per unit cell),
#%%   using alchemical atoms, GS only.
#%%   The first psp is Si, the second one is Si, the
#%%   mixing coefficients are 0.2 and 0.8 , then, in a second
#%%   dataset, they are 0.5 and 0.5 .
#%%   Should give same numerical results as the previous test.
#%% topics = AtomTypes
#%%<END TEST_INFO>