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Linear scaling electronic structure calculation program (HONPAS)


It contains the spin-unrestricted linear scaling electronic structure theory, density matrix perturbation theory for treating the electric field perturbation in solid state systems, an O(N) method for calculating maximally localized Wannier functions, a simple but effective method to calculate the band edge states in linear scaling.

See more: http://honpas.ustc.edu.cn/

References:
H. J. Xiang, Jinlong Yang, J. G. Hou, and Qingshi Zhu, Phys. Rev. Lett. 97, 266402 (2006)
H. J. Xiang, Jinlong Yang, J. G. Hou, and Qingshi Zhu, J. Chem. Phys. 126, 244707 (2007)
H. J. Xiang, Z. Y. Li, W. Z. Liang, J. L. Yang, J. G. Hou, and Q. S. Zhu, J. Chem. Phys. 124, 234108 (2006)
H. J. Xiang, W. Z. Liang, Jinlong Yang, J. G. Hou, and Qingshi Zhu, J. Chem. Phys. 123, 124105 (2005)

Xiang Group-Computational Condensed Matter Physics
Address: Physics Building, Songhu Road 2005, Fudan University (Jiangwan Campus), Shanghai, China, 200438