[ase-users] Dimer
Alaithan, Zainab
z.alaithan17 at imperial.ac.uk
Thu Jan 23 14:06:01 CET 2020
Dear Ase-user,
Can someone please share some tips about how to restart the dimer calculation from the dimer trajectory? and what is the appropriate displacement vector in this case? especially if the dimer calculation was converging and I just want to tighten the convergence criteria.
I will appreciate any help.
Regards,
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