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

• janberges / elphmod
  Python modules for electron–phonon models
  ☆29Updated this week
• cmdlab / pyGWBSE
  python workflow for GW-BSE calculation
  ☆27Updated last year
• jarvist / Julia-Phonons
  Julia codes to play with Phonons
  ☆24Updated 6 years ago
• Sassafrass6 / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)
  ☆22Updated 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，…
  ☆57Updated 3 years ago
• santoshkumarradha / pysktb
  Scientific Python package for solving Slater Koster tight-binding topological hamiltonian
  ☆50Updated last year
• zerothi / ts-tbt-sisl-tutorial
  Tutorials for the sisl-TBtrans-TranSiesta suite
  ☆41Updated 4 months ago
• hungpham2017 / pyWannier90
  A Wannier90 python interface for VASP and PySCF
  ☆36Updated last year
• mzjb / xDeepH
  Extended DeepH (xDeepH) method for magnetic materials.
  ☆36Updated last year
• pipidog / DFTtoolbox
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆42Updated last year
• marcobn / QETutorials
  Tutorials for Quantum Espresso
  ☆19Updated 2 years ago
• DMFTwDFT-project / DMFTwDFT
  DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages
  ☆57Updated 3 years ago
• mstsuite / MuST
  Multiple Scattering Theory code for first principles calculations
  ☆62Updated last month
• TnakaTnakaTnaka / PHNEGF
  Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory
  ☆20Updated 4 years ago
• hungpham2017 / mcu
  Modeling and Crystallographic Utilities
  ☆50Updated last year
• dkorotin / exchanges
  Exchange parameters of Heisenberg model calculation via Green's function approach
  ☆34Updated last year
• dceresoli / ce-tddft
  Real-time TDDFT for Quantum-Espresso
  ☆24Updated last year
• ccao / WannSymm
  Symmetry analysis and symmetrize in Wannier orbitals
  ☆41Updated 10 months ago
• mturiansky / wavecar2unk
  Converts the VASP WAVECAR to UNK files for wannier90.
  ☆22Updated 4 years ago
• wannier-developers / wannier-tutorials
  A repository hosting materials used during Wannier-related tutorials and schools
  ☆41Updated 9 months ago
• QijingZheng / VaspPoscarMayavi
  Use 3D visualization software Mayavi to visualize VASP POSCAR file.
  ☆30Updated last year
• jochym / abinitio-methods
  Lecture materials for: Ab initio methods in solid state physics.
  ☆21Updated 3 months ago
• yyyu200 / QEbandplot
  Python scripts for plot band structure from Quantum Espresso (pwscf) bands.x output files
  ☆16Updated 10 months ago
• zglan / JADE-NAMD
  JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation
  ☆18Updated 3 years ago
• brucefan1983 / gpuqt
  A CUDA-implementation of linear-scaling quantum transport methods
  ☆26Updated last year
• WOOHYUNHAN / phononTB
  Construct phonon tight-binding model and calculate its topological properties
  ☆26Updated 5 years ago
• QG-phy / TBSOC
  Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.
  ☆24Updated last year
• DMFTwDFT-project / DMFTwDFT3
  A framework to treat strongly correlated materials using beyond-DFT methods
  ☆24Updated 4 years ago
• irreducible-representations / irrep
  ☆65Updated last week
• yambo-code / yambopy
  Python scripts to manage and postprocess quantum espresso and yambo calculation.
  ☆14Updated last week