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G. Theurich and N. A. Hill,
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T. Ono and K. Hirose,
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I. V. Solovyev. A. I. Liechtenstein, K. Terakura,
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T. Ozaki, Phys. Rev. B 82, 075131 (2010).
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M. Otani and O. Sugino, Phys. Rev. B 73, 115407 (2006).
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O. Sugino, I. Hamada, M. Otani, Y. Morikawa, T. Ikeshoji, and Y. Okamoto,
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M. Otani, I. Hamada, O. Sugino, Y. Morioka, Y. Okamoto, and T. Ikeshoji,
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T. Ohwaki, M. Otani, T. Ikeshoji, and T. Ozaki, J. Chem. Phys. 136, 134101 (2012).
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G. Henkelman and H. Jonsson, J. Chem. Phys. 113, 9978 (2000).
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S. Grimme, J. Comput. Chem. 27, 1787 (2006).
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http://www.wannier.org/
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http://www.fhi-berlin.mpg.de/th/fhi98md/Murn/readme_murn.html
- 84
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http://www.openmx-square.org/
- 85
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http://www.netlib.org/lapack/
- 86
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http://www.nongnu.org/xmakemol/
- 87
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http://www.nanotec.es/
- 88
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http://www.nanoworld.jp/synaf/
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http://act.jst.go.jp/
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http://ccinfo.ims.ac.jp/nanogrid/
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http://www.jst.go.jp/
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http://computics-material.jp/index-e.html
2011-11-10