Alternatives and similar repositories for DeepH-pack:

Users that are interested in DeepH-pack are comparing it to the libraries listed below

• Xiaoxun-Gong / DeepH-E3
  ☆84Updated last year
• deepmodeling / DeePTB
  DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.
  ☆60Updated 3 weeks ago
• mzjb / xDeepH
  Extended DeepH (xDeepH) method for magnetic materials.
  ☆35Updated last year
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆84Updated 5 months ago
• QuantumLab-ZY / HamEPC
  A machine learning workflow for calculating the electron-phonon coupling (EPC)
  ☆22Updated 4 months ago
• marcobn / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)
  ☆37Updated 2 weeks ago
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆73Updated this week
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆86Updated this week
• marcobn / QETutorials
  Tutorials for Quantum Espresso
  ☆17Updated 2 years ago
• caizefeng / deltaspin
  A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP
  ☆24Updated 2 months ago
• masayoshi-ogura / HDNNP
  high dimensional neural network potential
  ☆21Updated 2 years ago
• rohskopf / modecode
  Massively parallel vibrational mode calculator.
  ☆23Updated 5 months ago
• ninarina12 / phononDoS_tutorial
  Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"
  ☆27Updated last year
• Xiaoxun-Gong / HPRO
  HPRO: Hamiltonian Projection and Reconstruction to atomic Orbitals
  ☆16Updated 2 months ago
• SSCHAcode / python-sscha
  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
  ☆59Updated 2 months ago
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆76Updated last year
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆59Updated last year
• zglan / JADE-NAMD
  JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation
  ☆18Updated 3 years ago
• materialsvirtuallab / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆37Updated 4 years ago
• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆37Updated last week
• deepmodeling / CrystalFormer
  Space Group Informed Transformer for Crystalline Materials Generation
  ☆62Updated 5 months ago
• QijingZheng / VaspPoscarMayavi
  Use 3D visualization software Mayavi to visualize VASP POSCAR file.
  ☆28Updated last year
• eminamitani / thermal_conductivity_code
  Allen-Feldman thermal conductivity compatible to GULP implementation
  ☆18Updated 3 weeks ago
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆35Updated 7 months ago
• zhangylch / REANN
  ☆56Updated last month
• Infant83 / VASPBERRY
  Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code
  ☆66Updated 5 months ago
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆117Updated 2 months ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆74Updated last month
• mailhexu / TB2J
  a python package for computing magnetic interaction parameters
  ☆72Updated this week
• MTD-group / Fermi-Surface
  VASP subtool to draw Fermi-Surface; creates input file for Xcrysden
  ☆37Updated 2 years ago