[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.
Stefaan
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