[Wien] High accuracy calculations

[Gavin Abo]

Regarding the SupplMat-WIEN2k.pdf at

https://molmod.ugent.be/deltacodesdft

I could be wrong, but it seems to be referring to lnsmax and lmax in 
case.in1 and GMAX in case.in2 as seen in the WIEN2k usersguide [ 
http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf ].


On 4/13/2018 3:33 AM, Nils Longshower wrote:
> Hi!
>
> I have a question on some parameters to increase accuracy. In the 
> supplementary materials for the delta tests, the following parameters 
> are listed:
>
> * largest l-value of nonspherical Hamiltonian and overlap matrix
>
> * elements inside the spheres largest l-value in expansion of density 
> and potential
>
> * largest vector in Fourier expansion of charge density
>
>
>
> Where do I set these parameters?
>
>
> Best,
> Nils