[QE-users] NEB calculation error

Ms.Shruthi A S as_shruthi at blr.amrita.edu
Wed Jan 31 07:41:05 CET 2024






Hello,

I am currently executing NEB calculation and have encountered this error.
Error in routine  path_read_namelists (5010):
      reading namelist path

I have attached the input file. The atomic positions have been taken after structure relaxation.
Please help me to understand where i am going wrong.

Thanks and Regards
Shruthi A S
Research Scholar,
Nanoelectronics Research Laboratory
Department of Electronics,
Amrita Vishwa Vidyapeetham

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