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      New Wang-Landau approach to obtain phase diagrams for multicomponent alloys

      , ,
      Physical Review B
      American Physical Society (APS)

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          Generalized Gradient Approximation Made Simple

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

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              Is Open Access

              An efficient, multiple range random walk algorithm to calculate the density of states

              We present a new Monte Carlo algorithm that produces results of high accuracy with reduced simulational effort. Independent random walks are performed (concurrently or serially) in different, restricted ranges of energy, and the resultant density of states is modified continuously to produce locally flat histograms. This method permits us to directly access the free energy and entropy, is independent of temperature, and is efficient for the study of both 1st order and 2nd order phase transitions. It should also be useful for the study of complex systems with a rough energy landscape.
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                Author and article information

                Journal
                PRBMDO
                Physical Review B
                Phys. Rev. B
                American Physical Society (APS)
                2469-9950
                2469-9969
                October 2017
                October 9 2017
                : 96
                : 14
                Article
                10.1103/PhysRevB.96.144202
                c1a5fb97-796c-4368-893b-23e242fc2200
                © 2017

                https://link.aps.org/licenses/aps-default-license

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