sometimes it helps to read the manual (pages 155 ff.), ... if one knows which mixing scheme one uses !?
Ciao Gerhard DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy: "I think the problem, to be quite honest with you, is that you have never actually known what the question is." ==================================== Dr. Gerhard H. Fecher Institut of Physics Johannes Gutenberg - University 55099 Mainz ________________________________________ Von: Wien [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von Laurence Marks [laurence.ma...@gmail.com] Gesendet: Dienstag, 12. Oktober 2021 08:45 An: A Mailing list for WIEN2k users Betreff: Re: [Wien] Change in mixing parameter during running Not a relevant question. Leave the GREED at 0.2 and fix your model. -- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University www.numis.northwestern.edu<http://www.numis.northwestern.edu> "Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Györgyi On Tue, Oct 12, 2021, 1:27 AM shamik chakrabarti <shamik15041...@gmail.com<mailto:shamik15041...@gmail.com>> wrote: Dear Wien2k users, If we started the simulation with a mixing parameter 0.2 & change the parameter to 0.01 after a crash, would it lead to the correct solution?... or should we need to start afresh calculation with 0.01? waiting for your reply eagerly. with regards, -- Dr. Shamik Chakrabarti Research Fellow Department of Physics Indian Institute of Technology Patna Bihta-801103 Patna Bihar, India _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at<mailto:Wien@zeus.theochem.tuwien.ac.at> https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!DRx747eA31FyGfFUTqseOrMP6kVDYXFsBAzGH_kEnrj0AfaQym079yhpjWso_krHEwYlnA$ SEARCH the MAILING-LIST at: https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!DRx747eA31FyGfFUTqseOrMP6kVDYXFsBAzGH_kEnrj0AfaQym079yhpjWso_kpjx9y38Q$ _______________________________________________ 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
