Autor:	Zhang, Boqin, Jing, Xin, Kumar, Shashikant, Suryanarayana, Phanish
Rok vydání:	2022
Předmět:	Condensed Matter - Materials Science
Druh dokumentu:	Working Paper
Popis:	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 significantly increase the fidelity of first principles calculations that can be performed using M-SPARC. Comment: 8 pages, 1 figure
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/2212.05870 Zobrazit plný text záznamu View this record from Arxiv