[Wien] Bug for spin-polarized calculation

Peter Blaha pblaha at zeus.theochem.tuwien.ac.at
Wed Dec 10 09:04:15 CET 2003


> I found a bug in Spin-Polarized calculation. Please see the attached
> error file and Co.struct. If you do calculation using the latest code.
> It will show this error.
>
> The code in Feb is OK for this.

I doubt that there is a bug. You probably did something wrong.

                                      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/
--------------------------------------------------------------------------




More information about the Wien mailing list