[Wien] VK-COUL not well converged: Increase GMAX or decrease NCON
Dr. K. C. Bhamu
kcbhamu85 at gmail.com
Sun Aug 25 12:10:49 CEST 2019
Dear Experts,
We are running a GGA-PBE calculation on a cubic double perovskite on
Wien2k_19.1 with intel compilers with
8 10 6 ELPA pxq hm (R-MT*K-MAX,MAX L IN
WF,V-NMT,lib,gridshape,hm/lm)
GMAX=12
We are getting VK-COUL error.
Exact warning is this: VK-COUL not well converged: Increase GMAX or
decrease NCON
There is no information on mailing list and UG on this warning.
Could someone please explore the meaning of these warnings?
PS: Running scf with dense k-mesh on a scf that was finished with
Wien2k_18.2.
regards
Bhamu
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