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      Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

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          Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

          G Kresse, J. Furthmüller (1996)
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            Python for Scientific Computing

            Travis E. Oliphant (2007)
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              First-principles calculations of the electronic structure and spectra of strongly correlated systems: theLDA+Umethod

              Vladimir Anisimov, F. Aryasetiawan, A. Lichtenstein (1997)
              Article 0 comments Cited 785 times – based on 0 reviews     Review now
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                Author and article information

                Journal
                Title: Computational Materials Science
                Abbreviated Title: Computational Materials Science
                Publisher: Elsevier BV
                ISSN (Print): 09270256
                Publication date Created: February 2013
                Publication date (Print): February 2013
                Volume: 68
                Issue:
                Pages: 314-319
                Article
                DOI: 10.1016/j.commatsci.2012.10.028
                SO-VID: 725fa433-0399-4ba1-a276-b859ad807914
                Copyright © © 2013
                License:

                http://www.elsevier.com/tdm/userlicense/1.0/

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