Dear Users, I am trying to relax the ions and cell parameters of WSe0.94Nb0.06 sample, but I am unable to get SCF convergence for the system. Kindly help me with this. I am attaching the input file along with this email.
Thanks and Regards, -- Pausali Nandi M.Tech Functional Materials and Devices Department of Physics Indian Institute of Technology, Kharagpur Kharagpur, West Bengal
WSeNb_vc_relax.in
Description: Binary data
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