task : SinglePoint
cutoff_energy : 600 eV
output_detail : VERBOSE

%block lattice_cart
40.0  0.0  0.0
 0.0 40.0  0.0
 0.0  0.0 40.0 
%endblock lattice_cart

%block species
Si Si 14 4 6.0
H  H   1 1 6.0
%endblock species

%block species_pot
Si silicon.recpot
H hydrogen.recpot
%endblock species_pot

# 2.76*( a, b, 0) = ( 2.2535, 1.5935,  0.0000)
# 2.76*(-a, b, 0) = (-2.2535, 1.5935,  0.0000)
# 2.76*( 0,-b, a) = ( 0.0000,-1.5935, +2.2535)
# 2.76*( 0,-b,-a) = ( 0.0000,-1.5935, -2.2535)

%block positions_abs
Si 15.0000 15.00000 15.0000
H  17.2535 16.5935 15.0000
H  12.7465 16.5935 15.0000
H  15.0000 13.4065 17.2535
H  15.0000 13.4065 12.7465
%endblock positions_abs