An important update related to powder diffraction
Possibilities to calculate the powder pattern with stacking sequences along [100] or [001] have been improved and made much faster.
If a stack consists of N-unit cells, the optimum calculation is to use steps of 1/N along the diffuse rods. At smaller steps, the weighting scheme between diffuse and sharp rods was off. This bug has been corrected in this release
DISCUS
chem Improved aver command if exact mode is set
perioditize Improved algorithm
powder/stack Major BUG fix. Stacks along axed other than [001] did not work well.
Corrected relative weight of sharp/diffuse rods