[Wien] structure parameters

[Jianfeng Zhu]

Hi there,

In some cases, when I construct the case.struct file using crystal structure file (.cif file), the cell parameters a, b, and c change to very different value as in the .cif file. Does anyone know why and how to fix it? Thank you in advance for your help.

Peter

-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20071220/5ba25e95/attachment-0001.html