[geometry]
file:                          geometry.in
files:                         geometry.in.???
primitive:                     geometry.in.primitive
supercell:                     geometry.in.supercell

[control]
xc:                            pw-lda
k_grid:                        [2, 2, 2]
charge_mix_param:              0.3
sc_accuracy_rho:               1e-6
relax_geometry:                trm 1e-3
relax_unit_cell:               false
# relax_unit_cell:               full
use_symmetric_forces:          false

[basissets]
default:                       light
# Si:                            intermediate
# O:                             tight
# fallback:                      light

[socketio]
port:                          null
