Alternatives and similar repositories for DFTfun_A_density_functional_theory_solver

Users that are interested in DFTfun_A_density_functional_theory_solver are comparing it to the libraries listed below

• DMFTwDFT-project / DMFTwDFT
  DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages
  ☆60Updated 3 years ago
• santoshkumarradha / pysktb
  Scientific Python package for solving Slater Koster tight-binding topological hamiltonian
  ☆56Updated 2 years ago
• hungpham2017 / mcu
  Modeling and Crystallographic Utilities
  ☆51Updated 2 years ago
• jarvist / Julia-Phonons
  Julia codes to play with Phonons
  ☆24Updated 7 years ago
• janberges / elphmod
  Python modules for electron–phonon models
  ☆36Updated last week
• TnakaTnakaTnaka / PHNEGF
  Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory
  ☆23Updated 5 years ago
• mailhexu / TB2J
  a python package for computing magnetic interaction parameters
  ☆88Updated last week
• pipidog / DFTtoolbox
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆44Updated 2 years ago
• whu-maple / tbhcnn
  Prototype code of the tight-binding hamiltonian construction neural network model. Check the example_basic_method.py to construct a TB mo…
  ☆31Updated 3 years ago
• Infant83 / VASPBERRY
  Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code
  ☆74Updated 4 months ago
• WOOHYUNHAN / phononTB
  Construct phonon tight-binding model and calculate its topological properties
  ☆27Updated 6 years ago
• QG-phy / TBSOC
  Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.
  ☆26Updated 3 weeks ago
• zerothi / ts-tbt-sisl-tutorial
  Tutorials for the sisl-TBtrans-TranSiesta suite
  ☆44Updated 2 weeks ago
• cndaqiang / DFT-EXERCISES
  DENSITY FUNCTIONAL THEORY EXERCISES. 本习题解答针对 DAVID S. SHOLL 的 Density functional theory: a practical introduction[1]一书。理论依据为密度泛函(DFT)理论，…
  ☆68Updated 4 years ago
• Infant83 / TBFIT
  Tight-binding parameter fitting package (TBFIT) for Slater-Koster method
  ☆33Updated 3 years ago
• ccao / WannSymm
  Symmetry analysis and symmetrize in Wannier orbitals
  ☆43Updated last year
• dkorotin / exchanges
  Exchange parameters of Heisenberg model calculation via Green's function approach
  ☆34Updated last year
• wannier-developers / wannier-tutorials
  A repository hosting materials used during Wannier-related tutorials and schools
  ☆44Updated last year
• ajjackson / ase-tutorial-symmetry
  Tutorial notebook for symmetry features in ASE
  ☆25Updated 6 years ago
• dceresoli / ce-tddft
  Real-time TDDFT for Quantum-Espresso
  ☆24Updated 2 years ago
• rubel75 / BerryPI
  Software to study polarization and topological properties of crystalline solids
  ☆31Updated last year
• gVallverdu / bandstructureplots
  Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.
  ☆46Updated 7 years ago
• MTD-group / Fermi-Surface
  VASP subtool to draw Fermi-Surface; creates input file for Xcrysden
  ☆37Updated 2 months ago
• mstsuite / MuST
  Multiple Scattering Theory code for first principles calculations
  ☆74Updated 2 months ago
• hungpham2017 / pyWannier90
  A Wannier90 python interface for VASP and PySCF
  ☆40Updated last month
• UppASD / UppASD
  The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.
  ☆95Updated 2 weeks ago
• Z2PackDev / TBmodels
  A tool for creating and manipulating tight-binding models.
  ☆41Updated 9 months ago
• QEF / SternheimerGW
  many-body perturbation theory without empty states
  ☆12Updated 7 years ago
• MRHemmati / pythTB
  ☆24Updated 7 years ago
• shankar1729 / jdftx
  JDFTx: software for joint density functional theory
  ☆96Updated this week