[Pw_forum] Error in routine bfgs (1): NR step-length unreasonably short

[Paolo Giannozzi]

Please verify how far from convergence the BFGS procedure is. If it is very
close, as I suspect, there is no point in insisting.

Paolo

On Mon, Nov 14, 2016 at 4:54 PM, janardhan H.L. <janardhanhl at yahoo.com>
wrote:

> 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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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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