task              : SinglePoint COND
paw               : True # Needed for EELS
xc_functional     : PBE
do_properties     : True # Ask for calculation of optical properties
cond_energy_gap   : 0.004
cond_energy_range : 0.4
cond_calc_eels    : True
#V Uncomment for human readable matrix elements
#cond_spec_print_mat_els : True 
cutoff_energy     : 750 eV
output_detail     : Verbose

%block lattice_cart
    40.000000   0.0000000   0.0000000
    0.0000000   40.000000   0.0000000
    0.0000000   0.0000000   40.000000
%endblock lattice_cart

%block species
Si       Si 14 9 12.0
H        H  1  1 8.0
# Here we define a second species for the atom whose 
# core -> conduction transitions we want to probe
Si_eels  Si 14 9 12.0
%endblock species

%block species_cond
Si       Si 14 9 12.0
H        H  1  1 8.0
Si_eels  Si 14 9 12.0
%endblock species_cond

%block species_pot
Si       si.abinit
H        h.abinit
Si_eels  si.abinit
%endblock species_pot

%block species_atomic_set
Si      SOLVE
H       SOLVE
Si_eels SOLVE
%endblock species_atomic_set

#only species with core wavefunction data
#supplied will be used to compute EEL 
#matrix elements.
#NB: ALL species MUST have an entry here
#use 'NONE' if you don't want to compute
#core loss matrix elements for a species.

%block species_core_wf
Si      NONE
H       NONE
Si_eels si-corewf.abinit 
%endblock species_core_wf

%block positions_abs
Si_eels     21.231469   19.962216   20.048416
H           22.316684   21.381117   21.086741
H           22.305600   18.474510   19.097577
Si          18.768395   20.037541   19.951432
H           17.694385   21.525477   20.902418
H           17.683467   18.617139   18.913416
%endblock positions_abs