[Wien] How to choose the space group

[Peter Blaha]

Sorry, I was sloppy. The angle determines which monoclinc axis you have.
Try with an angle beta ne. 90 !

?? schrieb:
> I used 10.174669 14.324850 10.068786 but it gave the error message.Then 
> I tried the 10 10 10.
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------