[CP2K-user] [CP2K:11001] Concerning PCSM

[Anton Kudelin]

Dear Prof. Krack,

Thank you for your answer! I have currently working with SCCS and found 
mentioned article waiting for a calculation to end.
Taking the opportunity, I'd like to ask, do you plan to implement stress 
tensor into the SCCS model? It would make my (and I guess not only my) work 
way easier.

With thanks,
Anton K.

понедельник, 3 декабря 2018 г., 22:42:08 UTC+3 пользователь Matthias Krack 
написал:
>
> Dear Anton
>
>  
>
> it is not missing. The model is implemented, but the name of the input 
> section is SCCS and not PCSM. Please check 
> https://manual.cp2k.org/cp2k-6_1-branch/CP2K_INPUT/FORCE_EVAL/DFT/SCCS.html 
> for details.
>
>  
>
> HTH
>
>  
>
> Matthias
>
>  
>
> *Von:* cp... at googlegroups.com <javascript:> <cp... at googlegroups.com 
> <javascript:>> *Im Auftrag von *Anton Kudelin
> *Gesendet:* Montag, 3. Dezember 2018 20:02
> *An:* cp2k <cp... at googlegroups.com <javascript:>>
> *Betreff:* [CP2K:11001] Concerning PCSM
>
>  
>
> Hi all,
>
>  
>
> I found an useful article <https://doi.org/10.1016/j.pnsc.2017.03.003> 
> referred to as "Periodic continuum solvation model integrated with 
> first-principles calculations for solid surfaces" where authors described 
> the implementation of the PCSM model in CP2K. Unfortunately, the 
> corresponding feature in the official release is missed. Does anyone know 
> the fate of this code?
>
>  
>
> Best regards,
>
> Anton K.
>
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