Dear wien2k users I am working on geo2 compound, in alpha-quartz phase .I calculated it’s elnes k-edge properly but for it’s elnes m45-edge I faced a problem and this error appears. Error:rotdef - no symmetry operation found. rotdef - for jatom, index 1 3 ; rotdef - atomposition of jatom 0.4449880 0.0000000 0.3333333 rotdef - atomposition of index 0.5550120 0.5550120 0.0000000 I used this input file innes: Germinage m45 edge of first atom. 1 3 2 30.00 200 0.0000 30.0000 0.0500 13.00 2.00 5 2 0.10 END
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