Anyone know if the magnetization direction in case.inso is in lattice coordinates or Cartesian coordinates? Thanks, David Parker
On 12/1/11 9:17 AM, "Stefaan Cottenier" <Stefaan.Cottenier at UGent.be> wrote: > I am not sure how can I add a number in the "label" field.Do you mean in > the case.struct file or anywhere else? Can you tell me in detail? If you use w2web, there is a field provided for this. If you edit case.struct directly, then put numbers (1,2,...) immediately after the chemical symbol (hence: Fe1, Fe2, ...). Be sure to delete a space first, as the file is position sensitive. Stefaan _______________________________________________ Wien mailing list Wien at zeus.theochem.tuwien.ac.at hxxp://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
