[Pw_forum] error whilst doing phonon calculations:

Elias Albert physics-passion at live.com
Wed Jan 9 22:35:21 CET 2013

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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