Unconstrained relaxation of unit cell (cg3) at 600eV compared to 900eV and volume scan at 600eV: system 600cg3 900cg3 600vs anthraquinone 9.443 9.669 9.733 benzene 9.270 9.544 9.575 benzeneF6 12.575 13.261 13.395 * difference is 6% naphthalene 9.163 9.413 9.449 pentacene 8.968 9.169 9.242 TCNQ 12.184 12.424 12.507 triazine 9.966 10.202 10.227 triphenylbenzene 9.314 9.549 9.597