Topic: nudged-elastic-band Goto Github
Some thing interesting about nudged-elastic-band
Some thing interesting about nudged-elastic-band
nudged-elastic-band,NEB technique for HEAs
User: asif-iqbal-bhatti
Home Page: https://asif-iqbal-bhatti.github.io/Nudge-Elastic-band-VASP/
nudged-elastic-band,A simple walkthrough and template for NEB runs on VASP.
User: drinwater
nudged-elastic-band,Computational Materials Science Toolkit
User: janknaup
nudged-elastic-band,This repository contains scripts to test the performance of different path optimization appraches to compute transition states and the minimum energy paths.
User: kumaranu
nudged-elastic-band,A collection of scripts. Mostly computational chemistry.
User: schneiderfelipe
Home Page: https://github.com/schneiderfelipe/scripts
nudged-elastic-band,A script to prepare POSCAR's for NEB calculations with VTST and DiSPy.
User: uthpalaherath
nudged-elastic-band,Examples and utilities for molecular dynamics simulations
User: yzhang951
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