[Wien] case.vtotal

[Peter Blaha]

Increase the LM list in case.in2 to l=8 or 10

Increase IFFTfactor in case.in0 from 2 to 4

Increase RKmax to 9

Increase VNSLMAX in case.in1 from 4 to 6

Do it in that order, maybe the first point helps already enough.

On 02/22/2017 06:35 AM, foyevtsova at th.physik.uni-frankfurt.de wrote:
> Dear wien2k community,
>
> I've noticed that the total potential in case.vtotal has small
> discontinuities at the muffin tin spheres' boundaries. Why is this
> happening and can this be fixed?
>
> Thank you,
> Kateryna Foyevtsova
>
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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