Dear Respected forum members, While relaxing the slab with 'cg' diagonalization method, I have encountered this error (Error in routine bfgs (1): NR step-length unreasonably short). In bfgs_module.f90 it says the following, | IF ( nr_step_length < eps16 ) & CALL errore( 'bfgs', 'NR step-length unreasonably short', 1 ) |
In the forum mail archive, this error has not been mentioned. kindly let me know what would be the possible reasons for this error? Thanks and regards Janardhan Korea Institue of Science and Technology Seoul, S.Korea
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