[Pw_forum] bad Fermi energy

[Stefano de Gironcoli]

I think you need to use more bands.
stefano

Hagai Eshet wrote:
> *Dear all,
> **
> **I'm trying to calculate the electronic DOS for liquid sodium at high
> pressure.
> The scf calculation is going well, but the nscf stops with the
> following message:
>
>     Message from routine efermit:
>      internal error, cannot braket Ef
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      from tweights : error #         1
>      bad Fermi energy
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%**
> **  **
> **I search for this problem in the forum and found few suggestions.
> **So I tried to change nbnd, k-points grid, mixing_mode**
> and smearing but it doesn't work.
>
> Does anyone have suggestion?
>
> **Best regards,
> Hagai Eshet**
>
> P.S I attached my input files
> *
>
>   
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