Thank you, Laurence, actually it started to cycle after I have made the number of spaces in my file the same as in the native k-list
Le 22/02/2011 15:01, Laurence Marks a ?crit : > It is very hard to know exactly what you have done wrong, or it could > be something special to your problem. Do you have d and f states in > the valence region? You might need to increase RKMAX. > > 2011/2/21 Volodymyr Svitlyk<svitlyk at esrf.fr>: >> Hi all, >> >> I have tried to use my custom klist. I have copied my klist into the >> directory, set TEMP as a Fermi-method with eval = 0.002, then I just skipped >> the kgen command during the initialize calc. At the lapw1 I got the error >> "'LOPW' - Plane waves exhausted." >> >> I guess something is wrong in the way I feed the klist? >> Thank you. >> >> >> _______________________________________________ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> >> > >