Ce-58 FCC-Gamma point calculation - Convergence issue
Forum » Forum / Support Questions » Ce-58 FCC-Gamma point calculation - Convergence issue
Started by: Nelson Rufus (guest)
Date: 24 Sep 2018 12:12
Number of posts: 1
rss icon RSS: New posts
Summary:
"degenerate local-orbital radial functions" error for rgkmax=12. Calculations work well up to rgkmax=11. However deltaE between rgkmax=10 & 11 is ~0.8 mHartree. Is there a workaround to this error?
New Post
Unless otherwise stated, the content of this page is licensed under Creative Commons Attribution-ShareAlike 3.0 License