[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
---
Paolo Giannozzi, Democritos and University of Udine, Italy





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