Dear Users, I am having trouble constructing an input file using the Wyckoff position and space group. I formed an input file using the space group and Wyckoff position for FeBiO3 (R3c h (161) ) but it crashed when I ran it. Could you please suggest to me where I made mistakes while forming the input file. My input file is attached below.
Thank you. Best regards, Peshal Karki Graduate Student Department of Physics and Astronomy Clemson University
scf.in
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