DFT calculation which is the better using Gaussian or CP2K?. Is it CP2K worth it?

Anton Kudelin archm... at gmail.com
Fri Mar 23 12:13:51 UTC 2018


What kind of DFT calculation do you need to carry out?

пятница, 23 марта 2018 г., 2:12:20 UTC+3 пользователь not.... at gmail.com 
написал:
>
> For DFT calculation, which is the better using Gaussian or CP2K?. Is it 
> CP2K worth it? 
>
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