[CP2K-user] [CP2K:20070] Re: compatibility between spl and skf format in tight binding DFT

jianhan liao liaojianhan003 at gmail.com
Mon Mar 25 16:07:59 UTC 2024


I also meet this problem. Could you teach me how to deal with it?Thanks!
在2022年5月9日星期一 UTC+8 13:24:22<Geng Sun> 写道:

> Hi 
>
> I wonder can I use the skf format parameters in DFTB section of CP2K?
>
> Are the two formats (skf in DFTB+ and spl in CP2K) compatible ?
>
> Thank you very much.
>
> Best Wishes,
>
> Geng
>
>  
>
> Sent from Mail <https://go.microsoft.com/fwlink/?LinkId=550986> for 
> Windows
>
>  
>

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