[CP2K:10014] Energy difference between CP2K and VASP energy calculation results of fcc Si

[brhr]

> Dear Professor Hutter and Dr. Seitsonen
>
 

> Thank you for very instructive replies.  
>
In fccSi file (This file is generated from 
> http://www.vasp.at/vasp-workshop/examples/fccSi.tgz, which is linked by 
> the above mentioned VASPwiki page), 
>    EATOM  =   103.0669 eV,    7.5752 Ry
> The total energy considering the psudo-atom energy may be 103.0669 - 
> 4.8758 ~ +98.1910 eV
> This value is pretty close to the CP2K results except for its sign...
> Anyway I should reexamine the CP2K input.
>
    brhr 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20180223/aa237a4e/attachment.htm>