[QE-users] A question about SCF and Optimization initial guess

[Robert Stanton]

Hello,

    You can find the option for this in &ELECTRONS, the keyword is
'startingwfc', and you'll want to specify from file. Hope this helps.

Regards,
Robert Stanton
Clarkson University


On Fri, Nov 20, 2020 at 11:07 PM <lisenzhibodao at 163.com> wrote:

> Hello everyone!
>
> I am a new user of QE. I just make a SCF job and It’s done successfully.
> Then I want to *use the wavefunction generate by the SCF job as the
> initial guess for the 1st step of Optimization job*( called vc-relax in
> there ). But I don’t know how to achieve. I tried to start a Optimization
> job which position is the same as the SCF job, but it’s useless.
>
> *So how can I make the SCF wavefunction as the initial guess for
> Optimization?*
>
>
>                                                                                       *  Thanks
> for your help!           *
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