Dear Sir, I am running the O2 molecule (F-cell) on an i5desktop with 8GM memory, Ubuntu 16.04, Wien2k_17.1. I am getting the error: :WARN : WARNING: RKmax reduced due to NMATMAX
After scratching the mailing list I supposed to overcome this issue if I increase NMATMAX and NUM value but it also not helpful. My default NMATMAX (NUM) was 19000 (6000) I increased NMATMAX (NUM) up to 25000 (8000) but still getting the same warning. Please help me. Cell size is 15Ang x 18 Ang with one k-point. Thanks in Advance! RegardsChin
_______________________________________________ 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
