Good intro resource for VASP/Computational Physics

In summary, the conversation discusses the use of VASP in materials science and electron structure calculations. The speaker has limited knowledge in quantum mechanics and is seeking resources for an upcoming summer research project. Suggestions for introductory resources include online tutorials and the book Density Functional Theory: A Practical Introduction by Sholl and Steckel.
  • #1
pascal12
15
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?
 
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  • #2
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.
 
  • #3
The book Density Functional Theory: A Practical Introduction by Sholl and Steckel is also good.
 

Related to Good intro resource for VASP/Computational Physics

1. What is VASP and why is it important in computational physics?

VASP stands for Vienna Ab-initio Simulation Package and it is a software used for electronic structure calculations in materials science and condensed matter physics. It is important in computational physics because it allows for accurate simulations of materials and their properties at the atomic level.

2. Is VASP difficult to use for beginners?

Yes, VASP can be challenging for beginners as it requires a basic understanding of computational physics and coding. However, there are many online resources available for learning how to use VASP, and with practice, it can become easier to use.

3. What are some good introductory resources for learning VASP?

There are many resources available for learning VASP, including online tutorials, user manuals, and workshops. Some recommended resources for beginners include the VASP wiki page, the VASP tutorial website, and the VASP workshop materials from the Materials Virtual Lab at UC Berkeley.

4. Can VASP be used for any type of material or system?

Yes, VASP can be used to simulate a wide range of materials and systems, including metals, semiconductors, and organic materials. It is also capable of modeling various properties such as electronic structures, phonon properties, and thermodynamic properties.

5. Are there any alternative software to VASP for computational physics?

Yes, there are many alternative software available for computational physics such as Quantum ESPRESSO, CP2K, and SIESTA. However, VASP is one of the most widely used software in the field due to its accuracy and versatility.

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