Figure 6
R.m.s. Cartesian displacements, without H atoms, upon energy-minimization with the unit cell free for the example cases. In dark grey, the 225 crystal structures from the reference test set. White bars correspond to crystal structures that are known to be incorrect; the white bars have been multiplied by a factor of two for clarity. The numbers above the arrows refer to the respective examples. Scales for the x and y axes as for Fig. 2. |