Dear Wien2k users, I would like to know if negative coordinates are allowed in StructGen module.
As for a monoclinic setting, the standard is C12/m1 and if we convert it to a non-conventional setting B112/m, the various atomic positions (x, y and z) are coming negative. This was done in the module available in the Bilbao Server. Since it is one of the limitations of Wien2k, I would like to know if negative atomic positions are permissible in Wien2k. Suddhasattwa -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100114/06ab054b/attachment.htm>
