[Pw_forum] Technique for converging Ecut and K-points?

[Ben Palmer]

Dear Nic,

I have just downloaded your thesis and will read chapter 4 now.

All the best,

Ben Palmer
> On 27/02/2013 18:43, Ben Palmer wrote:
>> Dear Stefano,
>>
>> I've just finished running the calculations, and I've quickly put the
>> results into excel.   K-points were 6,8,10,12,14,16,18.
>>
>> Energy v K-points:
>
> 1) I'd plot as a function of smearing, not of k-points.
>
> 2) forces rather than energies are much more interesting.
>
> 3) read chap 4 of http://theossrv1.epfl.ch/index.php?n=Main.Theses
>
> 			nic
>
>
>