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

• jarvist / Julia-Phonons
  Julia codes to play with Phonons
  ☆24Updated 6 years ago
• dceresoli / ce-tddft
  Real-time TDDFT for Quantum-Espresso
  ☆24Updated last year
• 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，…
  ☆58Updated 3 years ago
• Sassafrass6 / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)
  ☆24Updated last year
• TnakaTnakaTnaka / PHNEGF
  Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory
  ☆21Updated 4 years ago
• QG-phy / TBSOC
  Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.
  ☆24Updated last year
• pylada / pylada-defects
  A computational framework to automate point defect calculations
  ☆36Updated 6 years ago
• QijingZheng / VaspPoscarMayavi
  Use 3D visualization software Mayavi to visualize VASP POSCAR file.
  ☆31Updated last year
• santoshkumarradha / pysktb
  Scientific Python package for solving Slater Koster tight-binding topological hamiltonian
  ☆52Updated last year
• cmdlab / pyGWBSE
  python workflow for GW-BSE calculation
  ☆28Updated last year
• munrojm / DiSPy
  Utility for applying the distortion symmetry method.
  ☆28Updated last year
• janberges / elphmod
  Python modules for electron–phonon models
  ☆32Updated this week
• Infant83 / TBFIT
  Tight-binding parameter fitting package (TBFIT) for Slater-Koster method
  ☆30Updated 2 years ago
• DMFTwDFT-project / DMFTwDFT3
  A framework to treat strongly correlated materials using beyond-DFT methods
  ☆24Updated 4 years ago
• mturiansky / wavecar2unk
  Converts the VASP WAVECAR to UNK files for wannier90.
  ☆23Updated 4 years ago
• skmin-lab / unixmd
  ☆21Updated 2 months ago
• DMFTwDFT-project / DMFTwDFT
  DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages
  ☆57Updated 3 years ago
• jbuckeridge / cplap
  CPLAP is a program designed to determine the thermodynamical stability of a material, and, if it is stable, to determine the ranges of th…
  ☆15Updated 6 years ago
• pylada / pylada-light
  A physics computational framework for python and ipython
  ☆38Updated last year
• SSlakeLabTiangong / 2020_webinar
  ☆11Updated 5 years ago
• freude / negf
  The project represents a Python framework for computing the electron transport characteristics using the non-equilibrium Green's function…
  ☆12Updated 6 years ago
• quanshengwu / topocm_content
  Course on topology in condensed matter
  ☆9Updated 9 years ago
• dkorotin / exchanges
  Exchange parameters of Heisenberg model calculation via Green's function approach
  ☆34Updated last year
• mailhexu / TB2J
  a python package for computing magnetic interaction parameters
  ☆79Updated last week
• hungpham2017 / pyWannier90
  A Wannier90 python interface for VASP and PySCF
  ☆38Updated last year
• kylebystrom / pawpyseed
  Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
  ☆33Updated 3 years ago
• sozykinsa / GUI4dft
  GUI4dft - first free SIESTA oriented GUI
  ☆24Updated this week
• jochym / abinitio-methods
  Lecture materials for: Ab initio methods in solid state physics.
  ☆22Updated 5 months ago
• pipidog / DFTtoolbox
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆43Updated last year
• WOOHYUNHAN / phononTB
  Construct phonon tight-binding model and calculate its topological properties
  ☆26Updated 5 years ago