From: Ricardo R. <ric...@gm...> - 2021-03-30 12:06:07
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Hi, For imposing C4 symmetry in a real space alignment job, I use the following tag in the job XML file: <Symmetry NFold="4" SearchAngle="0" SearchAxisX="0.0" SearchAxisZ2="0.0" Type="PointSymmetry" X="0.0" Z2="0.0"/> But how would I go about imposing D4 symmetry? I tried adding another line to describe an additional 2-fold axis rotated by the 90 degrees, but it is ignored and only the C4 is imposed... Thanks! -- Ricardo Diogo Righetto |