| Autor: |
Agung Danu Wijaya, Dedy Farhamsa, Darmawati Darwis |
| Jazyk: |
angličtina |
| Rok vydání: |
2023 |
| Předmět: |
|
| Zdroj: |
SoftwareX, Vol 23, Iss , Pp 101445- (2023) |
| Druh dokumentu: |
article |
| ISSN: |
2352-7110 |
| DOI: |
10.1016/j.softx.2023.101445 |
| Popis: |
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. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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