Dear Wien2k users, I have question on the limitation of Wien2k regarding monoclinic systems. In case, we have I2/m symmetry or C2/m symmetry, then can we change it to P1 setting using softwares like Endeavour and then generate the structure from the resulting structure file? Would it give the correct result?
Suddhasattwa Ghosh -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100210/d65d1b7b/attachment.htm>
