Related papers

OpenMX is distributed under the terms of the GNU General Public License Version 3 (GPLv3) [102]. However, we would like to appreciate your citation of 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($N$) DC-LNO method

  T. Ozaki, M. Fukuda, G. Jiang, Phys. Rev. B 98, 245137 (2018).

• 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 DFT+U methods

  M.J. Han, T. Ozaki, and J. Yu, Phys. Rev. B 74, 045110 (2006); S. Ryee and M.J. Han, J. Phys:Condens. Matter 30, 275802 (2018). S. Ryee and M.J. Han, Scientific Reports 8, 9559 (2018).

• Exchange coupling parameter

  M.J. Han, T. Ozaki, and J. Yu, Phys. Rev. B 70, 184421 (2004); A Terasawa, M Matsumoto, T Ozaki, and Y Gohda, J. Phys. Soc. Jpn. 88, 114706 (2019).

• 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).

• Generation 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).

• XPS binding energies

  T. Ozaki and C.-C. Lee, Phys. Rev. Lett. 118, 026401 (2017).

• BoltzTraP calculations

  M. Miyata, T. Ozaki, T. Takeuchi, S. Nishino, M. Inukai, and M. Koyano, Journal of Electronic Materials 47, 3254 (2017).

• FermiSurfer

  M. Kawamura, Comp. Phys. Comm. 239, 197 (2019).

• Analysis of spin texture in the k-space

  H. Kotaka, F. Ishii, and M. Saito, Jpn. J. Appl. Phys. 52, 035204 (2013).; N. Yamaguchi and F. Ishii, Appl. Phys. Express 10, 123003 (2017).

• Spin spiral calculations

  T.B. Prayitno and F. Ishii, J. Phys. Soc. Jpn. 87, 114709 (2018); T.B. Prayitno and F. Ishii, J. Phys. Soc. Jpn. 88, 054701 (2019).

• Z$_2$, Chern number, and Berry curvature

  H. Sawahata, N. Yamaguchi, H. Kotaka, and F. Ishii, Jpn. J. Appl. Phys. 57, 030309 (2018).

• OpenMX Viewer

  Y.-T Lee and T. Ozaki, Journal of Molecular Graphics and Modelling 89, 192 (2019).