M. Upadhyay

2 Questions 3 Answers 0 Followers

Questions related from M. Upadhyay

Getting error message "Error in routine c_bands (1): too many bands are not converged" while running nscf.in file using pw.x to get nscf.out?

Hello all While running "pw.x -inp espressonscf.in> espressonscf.out" or either "mpirun '/home/manisha/Siagain/BiSbTe/qe-7.4.1/bin/pw.x' -in espressonscf.in> espressonscf.out" program is...

26 March 2025 1,703 5 View

Getting error message "Error in routine c_bands (1): too many bands are not converged" while running nscf.in file using pw.x to get nscf.out?

Hello all While running "pw.x -inp espressonscf.in> espressonscf.out" or either "mpirun '/home/manisha/Siagain/BiSbTe/qe-7.4.1/bin/pw.x' -in espressonscf.in> espressonscf.out" program is...

25 March 2025 8,001 1 View