Good intro resource for VASP/Computational Physics

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SUMMARY

This discussion focuses on introductory resources for using VASP (Vienna Ab-initio Simulation Package) in materials science and electron structure calculations. Key resources highlighted include general DFT (Density Functional Theory) calculations and specific VASP tutorials. Notable references include the book "Density Functional Theory: A Practical Introduction" by Sholl and Steckel, along with various online materials such as thesis documents and workshop slides. These resources provide foundational knowledge essential for effective use of VASP in research.

PREREQUISITES
  • Basic understanding of quantum mechanics
  • Familiarity with Density Functional Theory (DFT)
  • Knowledge of VASP software and its applications
  • Experience with computational physics concepts
NEXT STEPS
  • Explore VASP documentation and tutorials for hands-on experience
  • Read "Density Functional Theory: A Practical Introduction" by Sholl and Steckel
  • Investigate advanced DFT techniques and their applications
  • Review online resources and workshops related to VASP usage
USEFUL FOR

Researchers in materials science, physicists interested in computational methods, and students seeking to enhance their understanding of VASP and DFT calculations.

pascal12
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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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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.
 

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