A good question which nobody can answer for you. These questions are why we do science.
_____ 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, Aug 7, 2019, 18:22 Wien2k User <wien2k.u...@gmail.com> wrote: > Dear Wien2k users; > > > after GGA+U+SOC calculation, I found that the studied material is a > metal ( even for a large value of Ueff ) but when I redid another > calculation with mBJ based on GGA+U+SOC {mbj(GGA+U+SOC)}, I found a > semiconductor. > > Which of these two behaviors is the most correct? > _______________________________________________ > 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=8jjendLnW4pTRLRAFSiEHRNKc7Rm4mBZIWlP5bLHpyU&s=CY4MRCXzXg-Rf6vqAoruCrdbxKMgnjfD7ePlMpLIC4o&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=8jjendLnW4pTRLRAFSiEHRNKc7Rm4mBZIWlP5bLHpyU&s=4s-Smpi_42mHR_QVgwhhOhF3L2KLfo7ZnEYxXx0q9ks&e= >
_______________________________________________ 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