-i 120 On Thu, May 30, 2019 at 7:56 PM Indranil mal <indranil....@gmail.com> wrote:
> Dear users and respected sir, > I am trying to calculate band structure of TiC basic > unit cell system using mbj potential with a pc with serial compilation. > However, every time the SCF iteration stops at 40 cycle then I am compiling > "run_lapw -NI -i120" still in the next step it stops after 4o > iterations. > > Please help > > > Thanking you > > Indranil > _______________________________________________ > 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=WRj445yZoS82Sk4_TpRF_w5R3ecqSPMQqLCGbsM7m7k&s=v4Lz5bzjZri7S-QOEfniMbgItFNlLGZ2qIBB6ROwhok&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=WRj445yZoS82Sk4_TpRF_w5R3ecqSPMQqLCGbsM7m7k&s=68VUZ-8Fi_1H0hb8FeuDkZza8xX5U00BWcL2qj3Goco&e= > -- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University www.numis.northwestern.edu Corrosion in 4D: www.numis.northwestern.edu/MURI Co-Editor, Acta Cryst A "Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Gyorgi
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