[Pw_forum] group
Paolo Giannozzi
giannozz at nest.sns.it
Mon Aug 6 19:08:47 CEST 2007
On Aug 6, 2007, at 17:01 , ali kazempoor wrote:
> coset : error # 1
> The order of the group is not a multiple of that
> of the subgroup.
> input file:
>
> As 0.583333 0.66666 0.25
> As 0.583333 0.4166666 0.25
> As 0.3333333 0.4166666 0.25
> As 0.41666 0.5833333 0.75
> As 0.66666 0.5833333 0.75
> As 0.416666 0.3333333 0.75
use 6 significant digits everywhere:
0.66666=> 0.666666, 0.41666 = 0.416666
Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy
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