Related papers

OpenMX is distributed under the terms of the GNU General Public License (GPL) [63]. However, it would be appreciated for you to cite the following papers when you publish a paper using the corresponding functionality in OpenMX, which would be an implicit cooperation for the future development of OpenMX.

• General

  T. Ozaki, Phys. Rev. B. 67, 155108, (2003); T. Ozaki and H. Kino, Phys. Rev. B 69, 195113 (2004); T. Ozaki and H. Kino, Phys. Rev. B 72, 045121 (2005); K. Lejaeghere et al., Science 351, aad3000 (2016).

• Large-scale parallel calculation

  T.V.T. Duy and T. Ozaki, Comput. Phys. Commun. 185, 777 (2014); T.V.T. Duy and T. Ozaki, Comput. Phys. Commun. 185, 153 (2014).

• O(N) Krylov subspace method

  T. Ozaki, Phys. Rev. B 74, 245101 (2006).

• Numerically exact low-order scaling method

  T. Ozaki, Phys. Rev. B 82, 075131 (2010).

• The plus U method

  M.J. Han, T. Ozaki, and J. Yu, Phys. Rev. B 74, 045110 (2006).

• Exchange coupling parameter

  M.J. Han, T. Ozaki, and J. Yu, Phys. Rev. B 70, 184421 (2004).

• NEGF method

  T. Ozaki, K. Nishio, and H. Kino, Phys. Rev. 81, 035116 (2010); T. Ozaki, Phys. Rev. B 75, 035123 (2007).

• Effective screening medium method

  T. Ohwaki, M. Otani, T. Ikeshoji, and T. Ozaki, J. Chem. Phys. 136, 134101 (2012).

• Generatin of Wannier functions

  H. Weng, T. Ozaki, and K. Terakura, Phys. Rev. B 79, 235118 (2009).

• Generation of natural atomic orbitals

  T. Ohwaki, M. Otani, and T. Ozaki, J. Chem. Phys. 140, 244105 (2014).

• Band unfolding method

  C.-C. Lee, Y. Yamada-Takamura, and T. Ozaki, J. Phys.: Condens. Matter 25, 345501 (2013).