I am trying to find the frequency of transition state in NEB calculation. How to calculate, and what parameters are required in INPUT file for VASP? For 2D materials
How to calculate the frequency of transition state (NEB) calculations?
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liaqat_ali
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marie-therese.huebsch
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Re: How to calculate the frequency of transition state (NEB) calculations?
Please have a look at these detailed step-by-step instructions: How to set up an NEB calculation
Also, mind that you probably need electrostatic corrections and selective dynamics for a 2D system.
For future posts, please first have a look at the VASP Wiki as stated in the forum guidelines. If you can't find the answer there, we are happy to help.
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