• WIEN2k

  • Referenced in 43 articles [sw04975]
  • program package WIEN2k allows to perform electronic structure calculations of solids using density functional theory ... among the most accurate schemes for band structure calculations. WIEN2k is an all-electron scheme...
  • Wannier90

  • Referenced in 12 articles [sw01010]
  • matrices that describe rotations of the Bloch bands at each k-point. As a result ... interfaced straightforwardly to any electronic structure code. The locality ... MLWF can be exploited to compute band-structure, density of states and Fermi surfaces...
  • Split Step Explorer

  • Referenced in 12 articles [sw24413]
  • invariant systems in terms of their band structure. However, our theory requires no translation invariance...
  • pymatgen

  • Referenced in 11 articles [sw21647]
  • such as density of states and band structure. Integration with the Materials Project REST...
  • WIEN97

  • Referenced in 10 articles [sw14850]
  • program package allows you to perform electronic structure calculations of solids using the full-potential ... among the most accurate schemes for band structure calculations. It is based on density functional...
  • XFEM

  • Referenced in 359 articles [sw01026]
  • modular and extensible system. The programme structure has been designed to meet all natural requirements ... independent; enrichment detection schemes: topological, geometrical, narrow-band, etc.; multi-material problem with an arbitrary...
  • CUBGCV

  • Referenced in 8 articles [sw04346]
  • nonuniformly weighted. The algorithm exploits the banded structure of the matrices associated with the cubic...
  • MULTEM 2

  • Referenced in 4 articles [sw02222]
  • program for transmission and band-structure calculations of photonic crystals. We present a new version ... calculation of the frequency band structure of an infinite photonic crystal, and of the transmission...
  • matminer

  • Referenced in 2 articles [sw28746]
  • complex materials attributes (e.g., composition, crystal structure, band structure) into physically-relevant numerical quantities...
  • NanoNET

  • Referenced in 1 article [sw35709]
  • subroutines for detecting the block-tridiagonal structure of a Hamiltonian matrix and splitting it into ... programs for computing complex band structure, self-energies of elastic scattering processes, and Green ... framework are illustrated by computing the band structure and transport properties of a silicon nanowire ... well as the band structure of bulk bismuth...
  • Z2pack

  • Referenced in 2 articles [sw20875]
  • topological insulators and semimetals has established band structure topology as a fundamental material property. Consequently...
  • GTPack

  • Referenced in 2 articles [sw18755]
  • setting up and retrieving crystal and electronic structure databases (e.g. tight binding or crystal field ... ABINIT or VASP or the photonic band structure code MPB. Basic functionality: install point...
  • PyProcar

  • Referenced in 1 article [sw37661]
  • post-processing of the electronic structure data coming from DFT calculations. PyProcar provides ... point in the considered mesh, every energy band and every atom. PyProcar is capable ... including plotting plain and spin/atom/orbital projected band structures and Fermi surfaces- both ... bands of a super cell, comparing band structures from multiple DFT calculations, plotting partial density...
  • IFermi

  • Referenced in 1 article [sw37714]
  • main features include: Interpolation of electronic band structures onto dense k-point meshes. Extraction ... surfaces and Fermi slices from electronic band structures. Projection of arbitrary properties onto Fermi surfaces...
  • RSPt

  • Referenced in 1 article [sw07550]
  • Source project and a code for band structure calculations. RSPt (Relativistic Spin Polarised (test ... used to calculate the band structure and total energy for all elements, and combinations thereof...
  • BoltzTraP2

  • Referenced in 1 article [sw37717]
  • Brillouin zone based on the interpolated band structure, as functions of temperature and chemical potential ... also includes many additional features for band-structure analysis, such as a 3D viewer...
  • Semigroups

  • Referenced in 27 articles [sw11877]
  • matrix semigroups, free inverse semigroups, and free bands. Semigroups contains more efficient methods than those ... inverse semigroup, calculating their Green’s structure, ideals, size, elements, group of units, small generating...
  • SPRKKR

  • Referenced in 1 article [sw25511]
  • Munich SPRKKR band structure program package...
  • Boltztrap

  • Referenced in 1 article [sw01323]
  • BoltzTraP. A code for calculating band-structure dependent quantities. A program for calculating the semi ... smoothed Fourier interpolation of the bands. From this analytical representation we calculate the derivatives necessary...
  • p4vasp

  • Referenced in 1 article [sw35730]
  • velocities, dynamics, measure distances and angles. Simple structure editor, supports both Cartesian and direct coordinates ... properties, total and local DOS and band structure. Simulation of STM images (constant current...