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- W4382394328 abstract "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 the algorithms used to solve KSDFT equations. The calculation of the total energy and band structure of netDFT agrees with the results obtained by Quantum Espresso." @default.
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- W4382394328 date "2023-07-01" @default.
- W4382394328 modified "2023-10-17" @default.
- W4382394328 title "netDFT: JAVA Density Functional Theory for solid" @default.
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- W4382394328 doi "https://doi.org/10.1016/j.softx.2023.101445" @default.
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