PZ-SIC

[Xiaoming Wang]

I wait for half an hour for the first OT step to be printed out. I did't 
realize that PZ-SIC is so slow which is much slower than HFX calculations. 
Does this sound reasonable?

Best,
Xiaoming

On Sunday, December 31, 2017 at 8:22:18 PM UTC-5, Xiaoming Wang wrote:
>
> Hello,
>
> Can anyone comment on the PZ-SIC method (not the scaled PZ) implemented in 
> CP2K? I used the following setup to do PZ-SIC calculation on all the 
> orbitals, but the calculation got stuck at the very beginning. There is no 
> error report cause the monitor shows the job is still running. 
>
> ...
> LSD
> &SIC
>   ORBITAL_SET ALL
>   SIC_METHOD EXPLICIT_ORBITALS
> &END SIC
> ...
>
> Best,
> Xiaoming
>
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