https://github.com/f-fathurrahman/ImplementingDFT
Draft for my book about implementing density functional theory
https://github.com/f-fathurrahman/ImplementingDFT
Last synced: 6 months ago
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Draft for my book about implementing density functional theory
- Host: GitHub
- URL: https://github.com/f-fathurrahman/ImplementingDFT
- Owner: f-fathurrahman
- Created: 2019-09-15T09:12:24.000Z (over 5 years ago)
- Default Branch: master
- Last Pushed: 2024-07-15T01:35:30.000Z (11 months ago)
- Last Synced: 2024-11-13T22:50:29.240Z (7 months ago)
- Language: Julia
- Size: 21.3 MB
- Stars: 18
- Watchers: 6
- Forks: 3
- Open Issues: 0
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Metadata Files:
- Readme: README.md
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README
# DRAFT BOOK
A very rough draft for a book entitled:
*Implementing Density Functional Theory Calculations*.
Authors: Fadjar Fathurrahman and Hermawan Kresno Dipojono.
Affiliation: Dept. of Engineering Physics. Institut Teknologi Bandung.
Bandung, West Java, Indonesia.
In this book, we tried to explore how to implement density functional
theory calculations using (mainly) finite difference method.
The programs are written in Julia programming language.
We hope this books can be useful for beginners trying to implement their
own electronic structure package.
The references are not yet complete. Many works should be cited.
To build the pdf, you need have the lualatex and minted package (also `pygmentize`
for source code highlighting).
Several images also should be generated by executing the Julia scripts.
TODO: make this process (semi)automated (?)