Update README.md

frankNiessen · web-flow · commit b1530a30056b · 2021-08-03T11:23:37.000+02:00
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-# VASP DFT automatization with ASE
+# DFT automatization using VASP and ASE
 This repo contains a library that aims at automatizing some Density Functional Theory (DFT) workflows in [**VASP**](https://vasp.at/) by using the [**ASE**](https://wiki.fysik.dtu.dk/ase/index.html) toolkit. The workflows are adapted from the wonderful ressources provided by [Prof. John Kitchin](http://kitchingroup.cheme.cmu.edu/dft-book/dft.html). I am not an expert in DFT but I hope that these scripts might be helpful to some people starting up with DFT and management of DFT workflows.
 
 ## Installation

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`1`		`-# VASP DFT automatization with ASE`
	`1`	`+# DFT automatization using VASP and ASE`
`2`	`2`	`This repo contains a library that aims at automatizing some Density Functional Theory (DFT) workflows in [VASP](https://vasp.at/) by using the [ASE](https://wiki.fysik.dtu.dk/ase/index.html) toolkit. The workflows are adapted from the wonderful ressources provided by [Prof. John Kitchin](http://kitchingroup.cheme.cmu.edu/dft-book/dft.html). I am not an expert in DFT but I hope that these scripts might be helpful to some people starting up with DFT and management of DFT workflows.`
`3`	`3`
`4`	`4`	`## Installation`