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

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

[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