This is printed by mixer when it detects that there is something wrong with the *broyd* files, and/or some other input densities/potentials. It normally occurs when you do something like a normal calculation then switch to +U without deleting the prior history. Without more information I cannot trace it exactly. Look to see if all the formatted files are there, and have no NaN. Sometimes sub-programs crash but the cycle keeps going.
Maybe do "rm *broy* " and try again. N.B., convergence will be very slow as you are doing unsafe Pratt mixing. _____ Professor Laurence Marks "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi www.numis.northwestern.edu On Wed, Jan 2, 2019, 15:46 foyevtsova <foyevts...@phas.ubc.ca wrote: > Dear wien2k community, > > I am getting an > > ":WARN : ERROR in reading files, restarted" > > in case.scf and case.scfm, while the scf cycle itself is not interrupted > and all .error files are empty. The convergence, however, is extremely > slow. > > I've noticed that this happens when I have La atoms in the unit cell and > do a spin-polarized calculation, though this might be a coincidence. > > The version used is WIEN2k_18.2 (Release 17/7/2018). > > Thank you, > Kateryna > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > > https://urldefense.proofpoint.com/v2/url?u=http-3A__zeus.theochem.tuwien.ac.at_mailman_listinfo_wien&d=DwICAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=bWkFJYkjcjTgOG4aPrswk0wAS_WZ2iXq127wvCu1_KE&s=yl5z87a2MNBDlH2nyx2VwJCEc4vwYMkp-7iNr2kG_gw&e= > SEARCH the MAILING-LIST at: > https://urldefense.proofpoint.com/v2/url?u=http-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_index.html&d=DwICAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=bWkFJYkjcjTgOG4aPrswk0wAS_WZ2iXq127wvCu1_KE&s=8d2mvAue0EgQwAC4pMyc6spF-1Crko-hyCJ9X_cRwCQ&e= >
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