[Q-e-developers] smearing style

[Jiqiang Li]

Dear developers,
        I want to use the wavefunctions of highest occupied bands  in a charged system to evaluate some quantities, such as psi_i(r) ＊psi_j(r) . However, I found that the wavefunction sensitively depends on the degauss value.  So, how to choose a suitable value for  degauss when I want  to obatain a physically meaningful quantity.


Best regards!
 Jiqiang Li



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