[Pw_forum] Total energy does not coverge with ecut

[Paolo Giannozzi]

Timothy Mason wrote:

> I have not attempted your suggestion however I did trade out the PSPS 
> with different PSPSs.   I'm now using
> 
>  Li.pz-n-vbc.UPF
>  N.pbe-rrkjus.UPF
>  H.pbe-rrkjus.UPF
> 
> and they seem to converge nicely.
> 
> is there problem with the ones I was using?   here they are for reference
> 
> Li 6.941000 Li.pbe-n-van.UPF
> N 14.006740 N.pbe-van_ak.UPF
> H 1.007940 H.pbe-van_ak.UPF

hard to say, without an example

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy