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

[calculator]
name:                          aims
workdir:                       ${name}.${calculator.parameters:xc}

[calculator.parameters]
xc:                            pw-lda
charge_mix_param:              0.3
sc_accuracy_rho:               1e-6

[calculator.kpoints]
density:                       5

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

[calculator.socketio]
port:                          null
