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@ -23,8 +23,45 @@ If you have used phonopy, please cite the following article:
Month = {Oct}
}
Some papers where phonopy was used
-----------------------------------
``phonopy-qha``: Thermal properties, quasi-harmonic approximation used for thermal expansion
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
* "First-principles phonon calculations of thermal expansion in Ti3SiC2, Ti3AlC2, and Ti3GeC2"
Atsushi Togo, Laurent Chaput, Isao Tanaka, Gilles Hug,
Phys. Rev. B, **81**, 174301-1-6 (2010)
``MODULATION`` tag: Collective atomic modulation, symmetry breaking
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
* "Evolution of crystal structures in metallic elements"
Atsushi Togo and Isao Tanaka,
Phys. Rev. B, **87**, 184104-1-6 (2013)
* "Transition pathway of CO2 crystals under high pressures"
Atsushi Togo, Fumiyasu Oba, and Isao Tanaka,
Phys. Rev. B, **77**, 184101-1-5 (2008)
* "Inversion Symmetry Breaking by Oxygen Octahedral Rotations in the Ruddlesden-Popper NaRTiO4 Family"
Hirofumi Akamatsu, Koji Fujita, Toshihiro Kuge, Arnab Sen Gupta, Atsushi Togo, Shiming Lei, Fei Xue, Greg Stone, James M. Rondinelli, Long-Qing Chen, Isao Tanaka, Venkatraman Gopalan, and Katsuhisa Tanaka
Phys. Rev. Lett. **112**, 187602-1-5 (2014)
``TDISP``, ``TDISPMAT`` tags: Root mean square thermal atomic displacement
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
* "Neutron diffraction measurements and first-principles study of thermal motion of atoms in select Mn+1AXn and binary MX transition-metal carbide phases"
Nina J. Lane, Sven C. Vogel, Gilles Hug, Atsushi Togo, Laurent Chaput, Lars Hultman, and Michel W. Barsoum,
Phys. Rev. B, **86**, 214301-1-9 (2012)
* "Ab initio ORTEP drawings: a case study of N-based molecular crystals with different chemical nature"
Volker L. Deringer, Ralf P. Stoffel, Atsushi Togo, Bernhard Eck, Martin Mevencd and Richard Dronskowski
Cryst. Eng. Comm., (2014)
A short history of phonopy
^^^^^^^^^^^^^^^^^^^^^^^^^^^
---------------------------
Phonopy development started to replace and extend fropho
(http://fropho.sourceforge.net/). The implementation of fropho is also