Calculations are not converging after Electric field is applied
Posted: Fri Jul 14, 2023 9:48 am
Facing convergence problem for slab calculation as soon as Electric field is applied for non-collinear calculation. There is no error after running the calculation, even if running it for a more extended time. Even after these many iterations
DAV: 290 -0.595534535353E+03 -0.84070E-03 -0.68698E-04144448 0.567E-02 0.579E-01
DAV: 291 -0.595534049647E+03 0.48571E-03 -0.13563E-04174816 0.569E-02 0.581E-01
DAV: 292 -0.595534117062E+03 -0.67415E-04 -0.57259E-05152912 0.340E-02 0.577E-01
DAV: 293 -0.595534505197E+03 -0.38814E-03 -0.17372E-05158856 0.186E-02 0.579E-01
DAV: 294 -0.595535565415E+03 -0.10602E-02 -0.22035E-04176760 0.707E-02 0.585E-01
job is getting killed because of the time constraint, but not converging. I have tried running the calculations with different versions of Vasp. I recently performed it with the 6.4.1 version, but that could not solve the issue.
DAV: 290 -0.595534535353E+03 -0.84070E-03 -0.68698E-04144448 0.567E-02 0.579E-01
DAV: 291 -0.595534049647E+03 0.48571E-03 -0.13563E-04174816 0.569E-02 0.581E-01
DAV: 292 -0.595534117062E+03 -0.67415E-04 -0.57259E-05152912 0.340E-02 0.577E-01
DAV: 293 -0.595534505197E+03 -0.38814E-03 -0.17372E-05158856 0.186E-02 0.579E-01
DAV: 294 -0.595535565415E+03 -0.10602E-02 -0.22035E-04176760 0.707E-02 0.585E-01
job is getting killed because of the time constraint, but not converging. I have tried running the calculations with different versions of Vasp. I recently performed it with the 6.4.1 version, but that could not solve the issue.