[Wien] Strange Error with "x lstart"

[Michael Frotscher]

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Dear Dr. Blaha
> > Btw, is there a reason why structgen expects rhomboedical coordinates
> > when doing those cells? I thought nobody used these anymore...
>
> This is unfortunately the convention in WIEN2k. As I said in my last mail,
> it is a very stupid convention, but that's the way it is....

At least we agree here :-)

about the thing with lstart: just running instgen_lapw, but deleting the 
inst-file first did the trick. One just has to know those kind of things...

I hope I'll get the calculation running now.

Sincerely,
- -- 
Michael Frotscher
Institute of Inorganic and Applied Chemistry
University of Hamburg, Germany


 
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