[CP2K-user] [CP2K:16717] wfn saving interval

[Peng Gao]

Thanks, Matthias! It is very helpful!

On Tuesday, March 15, 2022 at 5:16:05 PM UTC+8 Matthias Krack wrote:

> Check this print key 
> <https://manual.cp2k.org/cp2k-9_1-branch/CP2K_INPUT/FORCE_EVAL/DFT/SCF/PRINT/RESTART/EACH.html#QS_SCF> in 
> the &SCF section
>
>  
>
> &SCF
>
> ..
>
> &PRINT
>
>   &RESTART
>
>    LOG_PRINT_KEY # optional: print notification to stdout
>
>    &EACH
>
>     QS_SCF 5
>
>    &END EACH
>
>   &END RESTART
>
> &END PRINT
>
> ..
>
> &END SCF
>
>  
>
> HTH
>
>  
>
> Matthias
>
>  
>
> *From:* cp... at googlegroups.com <cp... at googlegroups.com> *On Behalf Of *Peng 
> Gao
> *Sent:* Tuesday, March 15, 2022 2:06 AM
> *To:* cp2k <cp... at googlegroups.com>
> *Subject:* [CP2K:16713] wfn saving interval
>
>  
>
> CP2K saves the wavefunction to *-RESTART.wfn file every 20 SCF cycles. I 
> want to decrease the interval from 20 to 10 or 5, but failed to get the 
> control item. Could any one advise the keyword?
>
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