Alternatives and similar repositories for xDeepH:

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

• marcobn / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)
  ☆38Updated 3 weeks 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
• deepmodeling / DeePTB
  DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.
  ☆70Updated 2 weeks ago
• QijingZheng / VaspPoscarMayavi
  Use 3D visualization software Mayavi to visualize VASP POSCAR file.
  ☆30Updated last year
• dkorotin / exchanges
  Exchange parameters of Heisenberg model calculation via Green's function approach
  ☆34Updated last year
• cmdlab / pyGWBSE
  python workflow for GW-BSE calculation
  ☆27Updated last year
• caizefeng / deltaspin
  A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP
  ☆28Updated 4 months ago
• rohskopf / modecode
  Massively parallel vibrational mode calculator.
  ☆23Updated 7 months ago
• dalcorso / thermo_pw
  Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.
  ☆53Updated 3 weeks ago
• InWonYeu / interphon
  Interfacial Phonon code
  ☆26Updated 2 years ago
• hungpham2017 / pyWannier90
  A Wannier90 python interface for VASP and PySCF
  ☆37Updated last year
• tdep-developers / tdep-tutorials
  TDEP Tutorials
  ☆26Updated 3 months ago
• masayoshi-ogura / HDNNP
  high dimensional neural network potential
  ☆23Updated 2 years ago
• dgehringer / sqsgenerator
  A command line tool written in Python/C++ for finding optimized SQS structures
  ☆45Updated this week
• rashidrafeek / Quantum-ESPRESSO-scripts
  Python scripts to postprocess Quantum Espresso calclations.
  ☆18Updated 5 years ago
• zerothi / ts-tbt-sisl-tutorial
  Tutorials for the sisl-TBtrans-TranSiesta suite
  ☆41Updated 4 months ago
• marcobn / QETutorials
  Tutorials for Quantum Espresso
  ☆19Updated 2 years ago
• ninarina12 / phononDoS_tutorial
  Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"
  ☆28Updated last year
• pipidog / DFTtoolbox
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆42Updated last year
• Quantum-Dynamics-Hub / pyxaid2
  ☆12Updated 7 years ago
• Infant83 / TBFIT
  Tight-binding parameter fitting package (TBFIT) for Slater-Koster method
  ☆29Updated 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…
  ☆30Updated 2 years ago
• pyatb / pyatb
  Ab initio tight binding simuation package
  ☆23Updated last year
• mailhexu / TB2J
  a python package for computing magnetic interaction parameters
  ☆76Updated last week
• Xiaoxun-Gong / HPRO
  HPRO: Hamiltonian Projection and Reconstruction to atomic Orbitals
  ☆20Updated 4 months ago
• QG-phy / TBSOC
  Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.
  ☆24Updated last year
• QijingZheng / VASP_FermiSurface
  ☆27Updated 2 years ago
• yuzie007 / upho
  Band unfolding for phonons
  ☆54Updated 5 months ago
• ifilot / pypwdft
  Python-based plane wave density functional theory code for educational purposes
  ☆23Updated 2 weeks ago
• SSCHAcode / python-sscha
  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
  ☆59Updated 4 months ago