[QE-developers] ERROR in relax_BFGS

[Aditi Chandrasekar]

Dear QE Developers,

I am doing a geom opt. and getting the following error:

CASE: energy  _new > energy  _old
  Error in routine bfgs (1):
      step_old is NOT normalized

Please let me know the issue. I am using ver. 6.5 of QE.

Please see the attached input file.

Regards,

Aditi Chandrasekar
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