AIMD_Toolkit is a set of Matlab scripts to process the ab-initio molecular dynamics trajectories.
With AIMD_Toolkit you can
- Read the trajectories from a VASP output XDATCAR
- Create nuclear density with the CHG format, which is readable by VESTA
Please cite the following paper if you use this code
- Lu, Ziheng, et al. Physical Chemistry Chemical Physics 17.48 (2015): 32547-32555.
- Lu, Ziheng, and Francesco Ciucci. Journal of Materials Chemistry A 4.45 (2016): 17740-17748.