Good intro resource for VASP/Computational Physics

Join the discussion
Registration is free. Ask a follow-up in this thread, or start your own.
2 replies · 4K views
pascal12
Messages
15
Reaction score
0
I'll be starting a summer research thing soon which involves using VASP to do materials science/electron structure calculations. I've only taken a semester of quantum mechanics. What are some good intro resources for this subject area?
 
Physics news on Phys.org
Just in case anybody needs this thread in the future, here are a couple of the resources I used to brush up on some of the basic theory behind VASP calculations:
http://cmt.dur.ac.uk/sjc/thesis_prt/thesis.html - General DFT calculations, not specifically VASP
http://cmt.dur.ac.uk/sjc/thesis_dlc/thesis.html - general DFT calculations, not specifically VASP
http://cms.mpi.univie.ac.at/vasp-workshop/slides/documentation.htm - series of tutorial slides on theory and hands-on VASP
http://scent.gist.ac.kr/downloads/tutorial/2012/1/Lecture_JuhyungLEE.pdf - overview of theory behind VASP

There are plenty of resources out there, and the vasp tutorial is also helpful.
 
The book Density Functional Theory: A Practical Introduction by Sholl and Steckel is also good.