netDFT: JAVA Density Functional Theory for solid

netDFT: JAVA Density Functional Theory for solid

We present netDFT: JAVA Density Functional Theory, a Java program to solve the KSDFT equation using the pseudopotential method to get a solid’s band structure and total energy. netDFT provides a framework for testing XC functional prototypes for academics. netDFT can also be used as a tool to study...

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Bibliographic Details
Main Authors: Agung Danu Wijaya, Dedy Farhamsa, Darmawati Darwis
Format: Article
Language:English
Published: Elsevier 2023-07-01
Series:SoftwareX
Subjects:
Kohn–Sham Density Functional Theory
Band structure
Total energy
JAVA
Online Access:http://www.sciencedirect.com/science/article/pii/S2352711023001413

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http://www.sciencedirect.com/science/article/pii/S2352711023001413

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