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

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.

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Datensatz-Permalink: https://hdl.handle.net/11858/00-001M-0000-0019-4EE8-3 Versions-Permalink: https://hdl.handle.net/21.11116/0000-0002-C34F-A

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Urheber:
Grabowski, B.¹, Autor
Hickel, T.², Autor
Neugebauer, J.³, Autor

Affiliations:
1Adaptive Structural Materials (Simulation), Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863339
2Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863341
3Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863337