So this was the main effect !
Note, that with a default case.in1 your lmax is 10.
And you may check if there is something similar in lapwso ??
On 02/23/2017 03:06 PM, Martin Gmitra wrote:
Thank you very much for your advice!
I have changed the parameter LMAX2 to 12 (before was 5) in modules.F
which leads to improvement in three orders:
<n, K | n, K> = 0.999999992267
compared to the previous value of 0.999990071859
More hints are very welcome.
Best regards,
Martin
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