Useful research resource

Useful links: 

VASP wiki: www.vasp.at/wiki/index.php/The_VASP_Manual 

Qbox: qboxcode.org/ 

Qb@ll: https://github.com/LLNL/qball/wiki

Hartree atomic units: https://en.wikipedia.org/wiki/Hartree_atomic_units

VTST tool: https://theory.cm.utexas.edu/vtsttools/ (for NEB calculations using VASP)

Pylada: https://github.com/pylada/pylada-light (A computational framework to automate DFT calculations)

p2ptrans: https://github.com/ftherrien/p2ptrans (A code to construct heterogeneous interface using atom-to-atom matching by Felix Therrien)

Technical Notes for research:  (Under construction ...)

1. Useful linux commands

2. Usage of pylada-light

3. Usage of pylada-defects

4. Usage of GPU version of VASP

5. NEB calculation using VASP (5.4.4) with VTST extension

6. Usage of Surface cutting

7. Usage of p2pint (interface atom-to-atom matching)

8. Surface passivation

9. Usage of qb@ll

10. Special Quasi-random Structure (SQS)

11. Defect calculations (by Prashun Gorai)

12. Convex hull analysis using python

13. RT-TDDFT simulation of different irradiation (ion, electron, and laser)

14. Usage of random-sampling