• Wannier90

  • Referenced in 12 articles [sw01010]
  • Tool for Obtaining Maximally-Localised Wannier Functions. http://cpc.cs.qub.ac.uk/summaries/AEAK_v1_0.html. We present wannier90, a program ... calculating maximally-localised Wannier functions (MLWF) from a set of Bloch energy bands that ... visualisation and other post-processing purposes. Wannier functions are already used in a wide variety...
  • Wien2wannier

  • Referenced in 2 articles [sw06813]
  • augmented plane waves to maximally localized Wannier functions WIEN2WANNIER is an interface program between WIEN2k ... WANNIER90 to obtain maximally localized Wannier functions from WIEN2k calculations...
  • FLEUR

  • Referenced in 3 articles [sw22272]
  • make contact to electronically complex materials. Hybrid functionals [17,18] and the optimized-effective-potential ... method [15,19] have been implemented. Wannier functions [20] can be constructed to make contact...
  • BoltzWann

  • Referenced in 1 article [sw16784]
  • transport properties with a maximally-localized Wannier functions basis. We present a new code ... extended systems with a maximally-localized Wannier function basis set. The semiclassical Boltzmann transport equations ... energies and band derivatives are obtained via Wannier interpolations. Thanks ... exponential localization of the Wannier functions obtained, very high accuracy in the Brillouin zone integrals...
  • EPW

  • Referenced in 1 article [sw06043]
  • electron-photon coupling using maximally localized Wannier functions EPW makes use of a real-space ... ESPRESSO package with the maximally localized Wannier functions provided by the wannier90 package in order...
  • woptic

  • Referenced in 1 article [sw17820]
  • woptic: Optical conductivity with Wannier functions and adaptive k-mesh refinement. We present an algorithm ... from dynamical mean-field theory (DMFT). Wannier functions and dipole matrix elements are computed with...
  • LAPACK

  • Referenced in 1642 articles [sw00503]
  • LAPACK is written in Fortran 90 and provides...
  • WIEN2k

  • Referenced in 43 articles [sw04975]
  • The program package WIEN2k allows to perform electronic...
  • ABINIT

  • Referenced in 45 articles [sw06111]
  • ABINIT is a package whose main program allows...
  • XCrySDen

  • Referenced in 5 articles [sw12504]
  • XCrySDen is a crystalline and molecular structure visualisation...
  • Julia

  • Referenced in 283 articles [sw13986]
  • Julia: A fast dynamic language for technical computing...
  • fhi98PP

  • Referenced in 10 articles [sw17871]
  • Ab initio pseudopotentials for electronic structure calculations of...
  • VMD

  • Referenced in 84 articles [sw18651]
  • VMD is a molecular visualization program for displaying...