[ase-users] NEB code
Alaithan, Zainab
z.alaithan17 at imperial.ac.uk
Tue Aug 20 17:36:18 CEST 2019
I am examining NEB code because I am facing some convergence problems when I increase the number of images from 3. I noticed that NEB get.forces method returns the real forces instead of the modified forces.
The modified forces are calculated as 'f'
but the method returns 'forces' rather than 'f'
am I missing something?
Thank you,
Regards,
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