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

• santoshkumarradha / pysktb
  Scientific Python package for solving Slater Koster tight-binding topological hamiltonian
  ☆55Updated 2 years ago
• DMFTwDFT-project / DMFTwDFT
  DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages
  ☆59Updated 3 years ago
• hungpham2017 / mcu
  Modeling and Crystallographic Utilities
  ☆51Updated 2 years ago
• jarvist / Julia-Phonons
  Julia codes to play with Phonons
  ☆24Updated 6 years ago
• Z2PackDev / TBmodels
  A tool for creating and manipulating tight-binding models.
  ☆40Updated 7 months ago
• janberges / elphmod
  Python modules for electron–phonon models
  ☆36Updated 3 weeks ago
• TnakaTnakaTnaka / PHNEGF
  Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory
  ☆23Updated 5 years ago
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆96Updated last week
• marcobn / QETutorials
  Tutorials for Quantum Espresso
  ☆22Updated 3 years ago
• goodluck1982 / SpaceGroupIrep
  A mathematica package for irreducible representations of space group
  ☆58Updated 5 months ago
• QG-phy / TBSOC
  Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.
  ☆26Updated last year
• shankar1729 / jdftx
  JDFTx: software for joint density functional theory
  ☆92Updated 2 weeks ago
• hungpham2017 / pyWannier90
  A Wannier90 python interface for VASP and PySCF
  ☆40Updated 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，…
  ☆64Updated 4 years ago
• brucefan1983 / gpuqt
  A CUDA-implementation of linear-scaling quantum transport methods
  ☆28Updated 2 years ago
• mailhexu / TB2J
  a python package for computing magnetic interaction parameters
  ☆84Updated 3 weeks 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
• Sassafrass6 / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)
  ☆24Updated last year
• mturiansky / wavecar2unk
  Converts the VASP WAVECAR to UNK files for wannier90.
  ☆23Updated 5 years ago
• WOOHYUNHAN / phononTB
  Construct phonon tight-binding model and calculate its topological properties
  ☆27Updated 6 years ago
• lingtikong / phana
  ☆27Updated last year
• asdamle / SCDM
  Code for the Selected Columns of the Density Matrix suite of algorithms
  ☆13Updated 6 years ago
• pipidog / DFTtoolbox
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆43Updated 2 years ago
• quanshengwu / ChernNumber
  Using different methods to calculate Chern number for Haldane model with disorder
  ☆22Updated 7 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
• nakib / elphbolt
  A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
  ☆52Updated last month
• dkorotin / exchanges
  Exchange parameters of Heisenberg model calculation via Green's function approach
  ☆34Updated last year
• DMFTwDFT-project / DMFTwDFT3
  A framework to treat strongly correlated materials using beyond-DFT methods
  ☆25Updated 4 years ago
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆136Updated 2 years ago
• zerothi / ts-tbt-sisl-tutorial
  Tutorials for the sisl-TBtrans-TranSiesta suite
  ☆43Updated 10 months ago