From ab initio to materials properties: Accuracy and error bars of DFT 
thermodynamics

Grabowski, B.; Hickel, T.; Neugebauer, J.

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From ab initio to materials properties: Accuracy and error bars of DFT thermodynamics

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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). From ab initio to materials properties: Accuracy and error bars of DFT thermodynamics. Talk presented at MMM Workshop. Barcelona, Spain. 2007-10-29 - 2007-11-02.

引用: https://hdl.handle.net/11858/00-001M-0000-0019-4EE8-3

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