This page contains source code and scripts for pre/post-processing high-throughput computational modeling jobs with VASP 5+ and Gaussian 09/16. Some Machine learning scripts are also included. I will try to integrate all these scripts into a single package in the future. Click here to Download
* Warning: These scripts may have unknown bugs, use at your own risk.
If you found these codes helpful, consider joining our community by making a donation. Your support will enable me to continue creating valuable content while also supporting my baby's care. Together, we can make a meaningful impact. Thank you!