Dear Respected Colleagues, My SOC calculations keep failing when I include the noncolin=true and lspinorb=true to include the full relativistic mode in the calculation using the full relativistic pseudopotentials. It gives the error as Error in routine angle_rot (1): Problem with the matrix.
I anticipate your kind help. Thank you. Mukhtar Lawan Adam. National Synchrotron Radiation Lab, USTC, China. And. Faculty Member, Department of Physics, Bayero University, kano.
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