Version 2.0.0 - M-SPARC: Matlab-Simulation Package for Ab-initio Real-space Calculations

Version 2.0.0 - M-SPARC: Matlab-Simulation Package for Ab-initio Real-space Calculations

M-SPARC is a Matlab code for performing ab initio Kohn–Sham Density Functional Theory simulations. Version 2.0.0 of the software further extends its capability to include relativistic effects, dispersion interactions, and advanced semilocal/nonlocal exchange–correlation functionals. These features s...

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Bibliographic Details
Main Authors: Boqin Zhang, Xin Jing, Shashikant Kumar, Phanish Suryanarayana
Format: Article
Language:English
Published: Elsevier 2023-02-01
Series:SoftwareX
Subjects:
Kohn–Sham Density Functional Theory
Electronic structure
Relativistic effects
Dispersion interactions
Meta-GGA functionals
Hybrid functionals
Online Access:http://www.sciencedirect.com/science/article/pii/S2352711022002138

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http://www.sciencedirect.com/science/article/pii/S2352711022002138

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