Raman Spectra of 2D Titanium Carbide MXene from Machine-Learning Force Field Molecular Dynamics
by Ethan Berger, Zhong-Peng Lv and Hannu-Pekka Komsa

Here is a brief descriptions of the files available in this repository :
	- INCAR_Train : INCAR file used for the training step of the MLFF.
	- INCAR_Retrain : INCAR file used to retrain the final MLFF once the training structures are known.
	- INCAR_Prod : INCAR file used to produce the MD runs using only MLFF predictions.
	- ML_AB : File containing the atomic structures, energies and forces of the training set. This contains all the information need to train the MLFF model.
	- XDATCAR_x.tar.gz : Compressed file containing the MD trajectories for surfaces OxOH(1-x). The expanded files follow the XDATCAR format of VASP for trajectories.