[Wien] QTL error

jadhikari@clarku.edu jadhikari at clarku.edu
Fri May 1 16:13:23 CEST 2009


Please make the RMT smaller (5-10%) in the start as during volume
optimization the bond lengths change and the spheres overlap later.



> Dear wien2k users and developers, I got stuck with the structure
> generation. I've gone through the manual an it was written there that the
> muffin tin radius should be almost touching. But when I do volume
> optimisation, always nn overlapping error and somtimes QTL-B ERROR was
> shown. How can I handle with this problem? Please help. 
>
>
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