[Wien] Energy vs Volume is linear!

[Gavin Abo]

It looks like it is starting to curve at the volume of 10575.3364.  So 
you probably need calculations at smaller volumes.



On 9/8/2015 7:43 PM, Marzieh Gh wrote:
>
> Dear Prof.Blaha & Tran
>
> I have calculated optimization of supercell (1*1*2). But Energy vs 
> Volume is linear!
>
> case.outputeos:
>
> 10575.3364-88567.151612
> 11162.8553-88566.366642
> 12925.4112-88561.471064
> 11750.3745-88565.095045
> 12337.8929-88563.437182
>
> Is this normal?If no what is reason? What do I do?
>
> Please help me
>
> Best Regards
>
>
>
> -- 
> Marzieh Ghoohestani
> PhD Student of Computational Nano Physics
> Nano Research Center, Department of Physics
> University of Technology, Isfahan, Iran
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