[Wien] Conventional cell and character tables

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.ac.be
Thu Dec 18 09:25:49 CET 2003


> To do a calculation using the conventional cell one can,
> as has been said previously, shift atoms by a tiny amount
> thus removing the symmetry. I can not use this method,
> however, since this also would ruin the character tables.

I would expect it will work if you use this tiny shift during the
initialization only. After dstart, you change all positions back to their
original values, and then start run_lapw.

Stefaan




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