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Hi I am having doubt on plotting band structure using gaussian. I have gaussian output with #p b3lyp/6-31g* PBC=NKPoint=12 FMM=print iop(5/13=1,5/33=1) iop(5/181=10,5/184=194) iop(5/103=-1) as...
04 April 2016 5,604 7 View