[Wien] 'symmetry' in 12.1

Stefaan Cottenier Stefaan.Cottenier at UGent.be
Fri Sep 21 09:48:43 CEST 2012

> ATOM   3: X=0.16666666 Y=0.00000000 Z=0.49999999
> to
> ATOM   3: X=0.16666666 Y=0.00000000 Z=0.50000000

Thanks for this quick solution and all comments. I had used patchsymm 
previously, but only to correct deviations introduced by min_lapw. And 
to my experience there were no problems with rounding errors in the very 
last digit -- it turns out now, however, that this is true for ...6667, 
but not for ...9999.


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