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liuhongge1

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[ÇóÖú] warningÐÅÏ¢

BFGS: Warning - trial step suggests complex energy landscape
                 in which simple line minimization will fail.
  
               - This is usually an indication that the forces/streses
                 are not accurate enough. Consider making the following changes:
  
                 1) Increase cutoff_energy or basis_precision
                 2) Reduce elec_energy_tol and/or elec_force_tol
                 3) Increase grid_scale
                 4) Increase fine_grid_scale



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nankai_1121

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