Re: [Wien] :WAR : LOPW-exhausted for atom ...
Dear Prof. Blaha, Thank you very much ! All the best, Luis 2016-06-09 10:07 GMT-03:00 Peter Blaha: > This is no problem. > > > Am 06.06.2016 um 16:16 schrieb Luis Ogando: > >> 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 0.01 >> >>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://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >> >> > -- > -- > Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna > Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 > Email: bl...@theochem.tuwien.ac.atWIEN2k: http://www.wien2k.at > WWW: http://www.imc.tuwien.ac.at/staff/tc_group_e.php > -- > ___ > 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 > ___ 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
Re: [Wien] :WAR : LOPW-exhausted for atom ...
This is no problem. Am 06.06.2016 um 16:16 schrieb Luis Ogando: 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 0.01 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://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html -- -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: bl...@theochem.tuwien.ac.atWIEN2k: http://www.wien2k.at WWW: http://www.imc.tuwien.ac.at/staff/tc_group_e.php -- ___ 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
[Wien] :WAR : LOPW-exhausted for atom ...
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 0.01 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://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html