Dear all,
I am trying to calculate the phonon dispersion for a structure with 13 points.
It was successful for the first 4 and then there was an error in
diagonalization:
" kpoint 35 ibnd 17 solve_linter: root not converged NaN" for many points
and then the routine stopped with the error:
" stopping ... Error in routine broyden (1): factorization"
Can anyone please tell me the source of the error and how to correct it?
Thanksss
Elias University of Derby
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