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@ARTICLE{Tran:189571,
      author       = {Tran, Fabien and Blaha, Peter and Betzinger, Markus and
                      Blügel, Stefan},
      title        = {{C}omparison between exact and semilocal exchange
                      potentials: {A}n all-electron study for solids},
      journal      = {Physical review / B},
      volume       = {91},
      number       = {16},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {FZJ-2015-02712},
      pages        = {165121},
      year         = {2015},
      abstract     = {The exact-exchange (EXX) potential, which is obtained by
                      solving the optimized-effective potential (OEP) equation, is
                      compared to various approximate semilocal exchange
                      potentials for a set of selected solids (C, Si, BN, MgO,
                      Cu2O, and NiO). This is done in the framework of the
                      linearized augmented plane-wave method, which allows for a
                      very accurate all-electron solution of electronic structure
                      problems in solids. In order to assess the ability of the
                      semilocal potentials to approximate the EXX-OEP, we
                      considered the EXX total energy, electronic structure,
                      electric-field gradient, and magnetic moment. An attempt to
                      parametrize a semilocal exchange potential is also
                      reported.},
      cin          = {IAS-1 / PGI-1 / JARA-FIT},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106 /
                      $I:(DE-82)080009_20140620$},
      pnm          = {142 - Controlling Spin-Based Phenomena (POF3-142) / 143 -
                      Controlling Configuration-Based Phenomena (POF3-143)},
      pid          = {G:(DE-HGF)POF3-142 / G:(DE-HGF)POF3-143},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000353031700004},
      doi          = {10.1103/PhysRevB.91.165121},
      url          = {https://juser.fz-juelich.de/record/189571},
}