Dear PC-GAMESS users, I am working on DFT optimization of 16*0 zigzag carbon nanotube. Its symmetry is D16h. when I set its symmetry as D16h pcgamess tells that this symmetry is not suporttted. For supported D8h and D4h symmetries, the error message " POINT GROUP IS NOT SUPPORTED OR ATOMIC COORDINATES ARE INCONSISTENT" is displayed in uotput file and calculations do not run. Please kindly help me for solving this probleme.The input file is as the attached file of this post. Sincerely jjs
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[ 16zz1.inp ]
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