Dear Dr. Gavin Abo and WIEN2k users, Thank you very much for your suggestions. I compile siteconfigure as you suggested and I found there was no error during SCF calculations. I used RKmax = 7.0 but I got it 6.99. Is it correct now?
:RKM: MATRIX SIZE 16869LOs:1064 RKM= 6.99 WEIGHT= 1.00 PGR: Thanks Sandeep Kumar -- Dr. Sandeep Kumar, Post-doc Department of Chemistry, The Lise Meitner-Minerva Center for Computational Quantum Chemistry & The Institute for Nanotechnology and Advanced Materials, Bar-Ilan University, Ramat-Gan 52900, Israel
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