> 6 Nov 2017, 14:37 +04:00 оfrom chin Sabsu <chinsa...@yahoo.in>: > Original RKMAX was 7.0 with NMATMAX (NUM) up to 25000 (8000) and the output > is: > :RKM : MATRIX SIZE 24995LOs: 10 RKM= 5.68 WEIGHT= 1.00 PGR: > Original RKMAX was 7.0 with NMATMAX (NUM) was 19000 (6000) and the output > is: > :RKM : MATRIX SIZE 18985LOs: 10 RKM= 5.18 WEIGHT= 1.00 PGR:
So you can see that rkm is actually increasing with your nmatmax. Either reduce rkmax or further increase the parameter. > On Monday, 6 November 2017 12:22 AM, chin Sabsu <chinsa...@yahoo.in> wrote: > > > 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! > > Regards > Chin > > > _______________________________________________ > 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 > Lyudmila _______________________________________________ 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
