Dear All, I have been calculating structure parameter of ZrBeSi type crystal, whose point group is D6_h. When I take ecutrho as 500 Ry, everything is ok. But When I decrease ecutrho from 500 to 480 , its point group become D3_d even if crystal_sg is used.
Why does such a thing happen? Thanks in advance -- Bahadır SALMANKURT Ph.D. Candidate Department of Physics, Sakarya University, TURKEY
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