While I am running a simulation using GGA-PBE Na pseudopotential I am getting the error. I am sure the problem is not with the .fdf file but with the Na pseudopotential. I am attaching you the .out file. I also think the problem lies in not including p shell in the pseudopotential. I don't know how to include that in the pseudopotential. Please help to solve the problem.
-- *Senior research fellow Dept. of Physics, University of Calcutta Kolkata- 700009, West Bengal, India.* * Ph no-+91-9830512232*
Na1.out
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