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Accuracy and error bars of DFT calculated thermodynamic properties for elementary metals

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Grabowski,  B.
Adaptive Structural Materials (Simulation), Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Hickel,  T.
Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Neugebauer,  J.
Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Grabowski, B., Hickel, T., & Neugebauer, J. (2007). Accuracy and error bars of DFT calculated thermodynamic properties for elementary metals. Poster presented at 13th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods, Trieste, Italy.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0019-5407-0
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