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Question about setting up angles in non-collinear DFT Date: 2016/08/30 01:14 Name: Hung-Yu Yang Dear developers, I have a question about setting up the angles in non-collinear DFT calculation; if I use the "FRAC" unit to set up my atomic coordinates (not Ang or AU in terms of xyz axis), then how will the "Euler angles" be defined in the crystal systems that are monoclinic or triclinic? Do they still follow the xyz convention even if I used FRAC to set up my atomic coordinates? Thank you. Yours sincerely, Hung-Yu

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Re: Question about setting up angles in non-collinear DFT ( No.1 ) Date: 2016/08/30 16:30 Name: T. Ozaki Hi, The Euler angles always follow the xyz convention in any cases. Regards, TO

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