Dear all, I am doing a pdos calculation of a supercell of 72 atoms and my nbnd=220 during the nscf calculation. when i draw the graphs using xmgrace, the states looks packed together. Please assist where did i go wrong? attached are the graphs for PDOS and spin polarization. Regards Mulwa Winfred. D Phil Student, Computational Material Science Group, University of the Free State - QwaQwa, South Africa.
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