Dear Wien2k community, I am trying to optimize a cubic structure with MSR1a and I am getting the following message in practically all the SCF cycles.
:WAR : LOPW-exhausted for atom 11 PASS 1 had to reduce check 0.010000 After checking it in the mailing list and noticing that the PASS is always 1 and that "check" is always reduced to 0.01, I believe that it is not a serious problem. Anyway, I would like to be sure. Can anyone confirm this to me ? Please, do not hesitate in asking me more information. Thanks in advance, Luis
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://firstname.lastname@example.org/index.html