too many electronic iterations
Posted: Fri Jul 28, 2006 8:27 pm
If a calculation does not converge in nelm iteractions, the program prints
------------------------ aborting loop because EDIFF is reached
which would seem to imply that the calculation converged. I would like to suggest that the print out be changed so that if the calculation does not converge, the printout says something like
the number of iterations exceeded without convergence
------------------------ aborting loop because EDIFF is reached
which would seem to imply that the calculation converged. I would like to suggest that the print out be changed so that if the calculation does not converge, the printout says something like
the number of iterations exceeded without convergence