[Wien] WARNING During SCF Calculations

[sandeep Kumar]

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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