@Comment
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This Reference Data originally published in \cite{OpenKIM-RD:508286874977:000a, OpenKIM-RD:508286874977:000b, OpenKIM-RD:508286874977:000c, OpenKIM-RD:508286874977:000d, OpenKIM-RD:508286874977:000e, OpenKIM-RD:508286874977:000f, OpenKIM-RD:508286874977:000g} is archived in \cite{OpenKIM-RD:508286874977:000, tadmor:elliott:2011, elliott:tadmor:2011}.
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@Misc{OpenKIM-RD:508286874977:000,
  author       = {},
  howpublished = {OpenKIM, \url{https://openkim.org/cite/RD_508286874977_000}},
  keywords     = {OpenKIM, Reference Data, RD_508286874977_000},
  publisher    = {OpenKIM},
}

@Article{tadmor:elliott:2011,
  author    = {E. B. Tadmor and R. S. Elliott and J. P. Sethna and R. E. Miller and C. A. Becker},
  title     = {The potential of atomistic simulations and the {K}nowledgebase of {I}nteratomic {M}odels},
  journal   = {{JOM}},
  year      = {2011},
  volume    = {63},
  number    = {7},
  pages     = {17},
  doi       = {10.1007/s11837-011-0102-6},
}

@Misc{elliott:tadmor:2011,
  author       = {Ryan S. Elliott and Ellad B. Tadmor},
  title        = {{K}nowledgebase of {I}nteratomic {M}odels ({KIM}) Application Programming Interface ({API})},
  howpublished = {\url{https://openkim.org/kim-api}},
  publisher    = {OpenKIM},
  year         = 2011,
  doi          = {10.25950/ff8f563a},
}

@Article{OpenKIM-RD:508286874977:000a,
  author = {Kresse, G. and Hafner, J.},
  doi = {10.1103/PhysRevB.47.558},
  issue = {1},
  journal = {Phys. Rev. B},
  month = {Jan},
  pages = {558--561},
  publisher = {American Physical Society},
  title = {Ab initio molecular dynamics for liquid metals},
  volume = {47},
  year = {1993},
}

@Article{OpenKIM-RD:508286874977:000b,
  abstract = {We present a detailed description and comparison of algorithms for performing ab-initio quantum-mechanical calculations using pseudopotentials and a plane-wave basis set. We will discuss: (a) partial occupancies within the framework of the linear tetrahedron method and the finite temperature density-functional theory, (b) iterative methods for the diagonalization of the Kohn-Sham Hamiltonian and a discussion of an efficient iterative method based on the ideas of Pulay's residual minimization, which is close to an order Natoms2 scaling even for relatively large systems, (c) efficient Broyden-like and Pulay-like mixing methods for the charge density including a new special ‘preconditioning’ optimized for a plane-wave basis set, (d) conjugate gradient methods for minimizing the electronic free energy with respect to all degrees of freedom simultaneously. We have implemented these algorithms within a powerful package called VAMP (Vienna ab-initio molecular-dynamics package). The program and the techniques have been used successfully for a large number of different systems (liquid and amorphous semiconductors, liquid simple and transition metals, metallic and semi-conducting surfaces, phonons in simple metals, transition metals and semiconductors) and turned out to be very reliable.},
  author = {G. Kresse and J. Furthmüller},
  doi = {10.1016/0927-0256(96)00008-0},
  issn = {0927-0256},
  journal = {Computational Materials Science},
  number = {1},
  pages = {15 - 50},
  title = {Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set},
  volume = {6},
  year = {1996},
}

@Article{OpenKIM-RD:508286874977:000c,
  abstract = {The construction of accurate pseudopotentials with good convergence properties for the first-row and transition elements is discussed. We show that by combining an improved description of the pseudowavefunction inside the cut-off radius with the concept of ultrasoft pseudopotentials introduced by Vanderbilt optimal compromise between transferability and plane-wave convergence can be achieved. With the new pseudopotentials, basis sets with no more than 75-100 plane waves per atom are sufficient to reproduce the results obtained with the most accurate norm-conserving pseudopotentials.},
  author = {Kresse, G. and Hafner, J.},
  doi = {10.1088/0953-8984/6/40/015},
  journal = {Journal of Physics: Condensed Matter},
  number = {40},
  pages = {8245},
  title = {Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements},
  volume = {6},
  year = {1994},
}

@Article{OpenKIM-RD:508286874977:000d,
  author = {Perdew, John P. and Burke, Kieron and Ernzerhof, Matthias},
  doi = {10.1103/PhysRevLett.77.3865},
  issue = {18},
  journal = {Phys. Rev. Lett.},
  month = {Oct},
  pages = {3865--3868},
  publisher = {American Physical Society},
  title = {Generalized Gradient Approximation Made Simple},
  volume = {77},
  year = {1996},
}

@Article{OpenKIM-RD:508286874977:000e,
  author = {Kresse, G. and Furthmüller, J.},
  doi = {10.1103/PhysRevB.54.11169},
  issue = {16},
  journal = {Phys. Rev. B},
  month = {Oct},
  pages = {11169--11186},
  publisher = {American Physical Society},
  title = {Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set},
  volume = {54},
  year = {1996},
}

@Article{OpenKIM-RD:508286874977:000f,
  author = {Vanderbilt, David},
  doi = {10.1103/PhysRevB.41.7892},
  issue = {11},
  journal = {Phys. Rev. B},
  month = {Apr},
  pages = {7892--7895},
  publisher = {American Physical Society},
  title = {Soft self-consistent pseudopotentials in a generalized eigenvalue formalism},
  volume = {41},
  year = {1990},
}

@Article{OpenKIM-RD:508286874977:000g,
  author = {Perdew, John P. and Burke, Kieron and Ernzerhof, Matthias},
  doi = {10.1103/PhysRevLett.78.1396},
  issue = {7},
  journal = {Phys. Rev. Lett.},
  month = {Feb},
  pages = {1396--1396},
  publisher = {American Physical Society},
  title = {Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]},
  volume = {78},
  year = {1997},
}