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@ARTICLE{Friedrich:864664,
      author       = {Friedrich, Christoph},
      title        = {{T}etrahedron integration method for strongly varying
                      functions: {A}pplication to the {G} {T} self-energy},
      journal      = {Physical review / B},
      volume       = {100},
      number       = {7},
      issn         = {2469-9950},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {FZJ-2019-04362},
      pages        = {075142},
      year         = {2019},
      abstract     = {We develop a tetrahedron method for the Brillouin-zone
                      integration of expressions that vary a lot as a function of
                      energy. The usual tetrahedron method replaces the continuous
                      integral over the Brillouin zone by a weighted sum over a
                      finite number of k points. The weight factors are determined
                      under the assumption that the function to be integrated be
                      linear inside each tetrahedron, so the method works best for
                      functions that vary smoothly over the Brillouin zone. In
                      this paper, we describe a new method that can deal with
                      situations where this condition is not fulfilled. Instead of
                      weight factors, we employ weight functions, defined as
                      piecewise cubic polynomials over energy. Since these
                      polynomials are analytic, any function, also strongly
                      varying ones, can be integrated accurately and piecewise
                      analytically. The method is applied to the evaluation of the
                      GT self-energy using two techniques, analytic continuation
                      and contour deformation. (We also describe a third
                      technique, which is a hybrid of the two. An efficient
                      algorithm for the dilogarithm needed for analytic
                      continuation is formulated in Appendix.) The resulting
                      spectral functions converge very quickly with respect to the
                      k-point sampling.},
      cin          = {IAS-1 / PGI-1 / JARA-FIT / JARA-HPC},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106 /
                      $I:(DE-82)080009_20140620$ / $I:(DE-82)080012_20140620$},
      pnm          = {142 - Controlling Spin-Based Phenomena (POF3-142) / 143 -
                      Controlling Configuration-Based Phenomena (POF3-143) /
                      Optoelectronic properties of materials for photovoltaic and
                      photonic applications $(jpgi10_20181101)$},
      pid          = {G:(DE-HGF)POF3-142 / G:(DE-HGF)POF3-143 /
                      $G:(DE-Juel1)jpgi10_20181101$},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000482086200001},
      doi          = {10.1103/PhysRevB.100.075142},
      url          = {https://juser.fz-juelich.de/record/864664},
}