Alternatives and similar repositories for gpuqt

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

• janberges / elphmod
  Python modules for electron–phonon models
  ☆36Updated last week
• brucefan1983 / LSQT-Jupyter
  A tutorial on the linear scaling quantum transport methods using Jupyter (with Python3)
  ☆14Updated 6 years ago
• dceresoli / ce-tddft
  Real-time TDDFT for Quantum-Espresso
  ☆24Updated 2 years ago
• dkorotin / exchanges
  Exchange parameters of Heisenberg model calculation via Green's function approach
  ☆34Updated last year
• hungpham2017 / pyWannier90
  A Wannier90 python interface for VASP and PySCF
  ☆40Updated last year
• hungpham2017 / mcu
  Modeling and Crystallographic Utilities
  ☆51Updated 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
• rubel75 / fold2Bloch-VASP
  Unfolding the band structure of a supercell obtained with VASP
  ☆25Updated 2 years ago
• QijingZheng / VASP_FermiSurface
  ☆31Updated 4 months ago
• TnakaTnakaTnaka / PHNEGF
  Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory
  ☆23Updated 5 years ago
• ccao / WannSymm
  Symmetry analysis and symmetrize in Wannier orbitals
  ☆43Updated last year
• Sassafrass6 / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)
  ☆24Updated last year
• nanoengineering / EPW-nano
  Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…
  ☆27Updated 5 years ago
• pipidog / DFTtoolbox
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆43Updated 2 years ago
• tdep-developers / tdep-tutorials
  TDEP Tutorials
  ☆32Updated 4 months ago
• cmdlab / pyGWBSE
  python workflow for GW-BSE calculation
  ☆30Updated 2 years ago
• ifilot / pypwdft
  Python-based plane wave density functional theory code for educational purposes
  ☆31Updated 6 months ago
• QijingZheng / VaspPoscarMayavi
  Use 3D visualization software Mayavi to visualize VASP POSCAR file.
  ☆34Updated 2 years ago
• GkAntonius / ElectronPhononCoupling
  Post-processing of electron-phonon coupling calculations from Abinit
  ☆16Updated 4 years ago
• yuzie007 / upho
  Band unfolding for phonons
  ☆57Updated 11 months ago
• Chengcheng-Xiao / mpiPyMC
  A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.
  ☆36Updated 3 years ago
• Z2PackDev / TBmodels
  A tool for creating and manipulating tight-binding models.
  ☆40Updated 7 months ago
• anharmonic / d3q
  D3Q + thermal2
  ☆26Updated 3 weeks ago
• QG-phy / TBSOC
  Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.
  ☆26Updated last year
• zerothi / ts-tbt-sisl-tutorial
  Tutorials for the sisl-TBtrans-TranSiesta suite
  ☆43Updated 11 months ago
• yw-choi / qe_unfolding
  band unfolding using quantum espresso
  ☆11Updated 2 years ago
• Infant83 / TBFIT
  Tight-binding parameter fitting package (TBFIT) for Slater-Koster method
  ☆32Updated 3 years ago
• wxmwy / ShengBTE
  This is a GPU optimized version of ShengBTE.
  ☆17Updated last year
• pyatb / pyatb
  Ab initio tight binding simuation package
  ☆31Updated 3 months ago
• aiidateam / qe-tools
  A set of useful tools for Quantum ESPRESSO
  ☆33Updated this week