[CP2K:7765] magnetization of bcc-Fe

Yi Wang wang... at gmail.com
Tue May 17 14:03:27 UTC 2016

On Tue, 17 May 2016 19:31:57 +0800, Ralph Koitz <ralph... at gmail.com>  

Dear Ralph,

Thank you very much. I'd check it.

Yi Wang

> Hi
>> Is there any reference or tutorial you would like to suggest on  
>> optimize the basis set?
> Here is a talk about PP and basis set optimizations with cp2k:  
> https://www.cp2k.org/_media/>events:2015_cecam_tutorial:ling_basis_pseudo.pdf  
> by S. Ling at the 2015 cp2k tutorial. Hope that helps.
> Thorough testing of pseudos and basis sets is advisable before using  
> them in production runs.
> Best,
> Ralph
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