[Pw_forum] phonon at G error : from phq_readin : error # 1 no elec. field with metals

[Nicola Marzari]

xu yuehua wrote:
> hello all
> i am now compute the phonon calculation at G of h2o, but it has a error 
> in *out as following: i do not kown what is the meaning?would you tell 
> me what happened ?
>  
> 
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      from phq_readin : error #         1
>      no elec. field with metals
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 


One possibility is that your calculation was set up as if it
were a metallic system, with fractional occupations and smearing.

Is this the case ?

As I've mentioned before, I'll stop answering to anyone
that doesn't sign their emails in full, with name and
affiliation.

				nicola

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