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, foyevts...@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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