Dear WIEN2k users, I have a problem about large RKmax.
Please see the below png file: http://blogattach.naver.com/32a72e9d8cd5d60a25c0a493ab4a384febbe47a512/20170914_54_blogfile/butz1004_1505360157025_cOW3qT_png/rkm.png?type=attachment There are some parts of bandstructure of my system with various RKmax values. In my case only a large RKmax (11~12) shows good results. It there anyone who had similar experiences? # Details: # The smallest Rmt = 2.5 (atomic distances are pretty long) / # Heavy elements from Os to Bi line / # The total E converges as RKmax increase / My biggest concern, really, is that whether the results are in the "numerical linear dependency" problem or not. Is there any other method to check the issue? Thank you for reading this email. Any response in this regard will be very helpful for me. With best regards - Kyohn _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
