Nickel cell optimization

[Alex]

Thanks for the info, this is very useful.
 

>                                             
>
> Concerning your (metallic) system: I assume you know that CP2K has not yet 
> k points implemented.
>
>
>  
 I do realize that the electronic energy is sampled at the gamma point, so 
no transport properties as such. With this input, I want to see if I am 
able to at least get the thermal expansion coefficient and heat capacity 
with some degree of accuracy. Do you think it's a realistic goal?
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