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This macro will automatically calculate the activation barrier, change the transition state energy to red, and create plots with curve fitting for each path. The user is responsible in generating a text format with directory paths between NEB energies. The text must be sequential and the final line must contain a "/". An example text format is p…

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NEB_Excel_Macro

This macro will 1) automatically calculate the activation barrier, 2) change the transition state energy to red, and 3) create plots with curve fitting for each path. The user is responsible in generating a text format with directory paths between Nudged Elastic Band (NEB) energies. The text must be sequential and the final line must contain a "/". An example text format is provided, along with a bash collection script (to generate such text format) and an example excel sheet. The energies were determiend using VASP with IBRION = 3.

This is my first visual basic project.

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This macro will automatically calculate the activation barrier, change the transition state energy to red, and create plots with curve fitting for each path. The user is responsible in generating a text format with directory paths between NEB energies. The text must be sequential and the final line must contain a "/". An example text format is p…

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