• WIEN2k

  • Referenced in 44 articles [sw04975]
  • calculations of solids using density functional theory (DFT). It is based on the full-potential ... most accurate schemes for band structure calculations. WIEN2k is an all-electron scheme including relativistic...
  • WIEN97

  • Referenced in 10 articles [sw14850]
  • WIEN97, A full potential linearized augmented plane wave package for calculating crystal properties. WIEN97. This ... perform electronic structure calculations of solids using the full-potential linearized-augmented-plane-wave (LAPW ... most accurate schemes for band structure calculations. It is based on density functional theory...
  • wien-speedup

  • Referenced in 5 articles [sw14853]
  • Improving the efficiency of FP-LAPW calculations. Nature of problem: For ab-initio studies ... crystals and surfaces. Solution method: The full-potential linearized augmented plane wave (FP-LAPW) method ... well known to enable accurate calculations of the electronic structure and magnetic properties of crystals...
  • FLEUR

  • Referenced in 3 articles [sw22272]
  • code family is a program package for calculating ground-state as well as excited-state ... solids. It is based on the full-potential linearized augmented-plane-wave (FLAPW) method ... functionals [17,18] and the optimized-effective-potential (OEP) method [15,19] have been implemented ... excitations [23]. The Hubbard U can be calculated in the constrained random phase approximation (cRPA...
  • RSPt

  • Referenced in 1 article [sw07550]
  • flexible and can be used to calculate the band structure and total energy ... range of volumes and structures. The Full-Potential Linear Muffin-Tin Orbital (FP-LMTO) method ... very small basis sets and fast calculations. Compared to LMTO-ASA there are no restrictions...
  • Runwien

  • Referenced in 2 articles [sw08903]
  • text-based interface for WIEN2k, the full-potential linearized augmented plane-waves (FPLAPW) program ... generating arbitrarily large sets of calculations. Thus, properties over a potential energy surface and WIEN2k...
  • FHI-aims

  • Referenced in 2 articles [sw26731]
  • efficient, accurate all-electron, full-potential electronic structure code package for computational molecular and materials ... numerical accuracy for all production tasks. Production calculations handle up to several thousand atoms...
  • FHI-gap

  • Referenced in 1 article [sw10804]
  • situation can become more severe in GWGW calculations, because pseudo-wavefunctions are used ... electron GWGW implementation based on the full-potential linearized augmented planewave plus local orbital (LAPW ... materials, irrespective of their composition. Test calculations demonstrate the convergence behavior of the results with...
  • critic

  • Referenced in 2 articles [sw00166]
  • Critic is a program for the topological analysis...
  • Maple

  • Referenced in 5403 articles [sw00545]
  • The result of over 30 years of cutting...
  • gnuplot

  • Referenced in 70 articles [sw04188]
  • Gnuplot is a portable command-line driven graphing...
  • SPARC

  • Referenced in 6 articles [sw22290]
  • SPARC: accurate and efficient finite-difference formulation and...