Alternatives and similar repositories for DeepH-pack:

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

• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆85Updated 6 months ago
• deepmodeling / DeePTB
  DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.
  ☆64Updated last week
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆62Updated last year
• Xiaoxun-Gong / DeepH-E3
  ☆88Updated last year
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆56Updated 5 years ago
• marcobn / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)
  ☆38Updated last week
• zglan / JADE-NAMD
  JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation
  ☆18Updated 3 years ago
• dalcorso / thermo_pw
  Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.
  ☆53Updated 2 weeks ago
• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆39Updated last month
• 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
• mzjb / xDeepH
  Extended DeepH (xDeepH) method for magnetic materials.
  ☆36Updated last year
• QijingZheng / VaspPoscarMayavi
  Use 3D visualization software Mayavi to visualize VASP POSCAR file.
  ☆30Updated last year
• WatsonGroupTCD / Occupation-matrix-control-in-VASP
  Occupation matrix control modification VASP
  ☆45Updated 5 years ago
• Xiaoxun-Gong / HPRO
  HPRO: Hamiltonian Projection and Reconstruction to atomic Orbitals
  ☆20Updated 3 months ago
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆78Updated last year
• Infant83 / VASPBERRY
  Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code
  ☆67Updated 6 months ago
• mailhexu / TB2J
  a python package for computing magnetic interaction parameters
  ☆75Updated last week
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆73Updated this week
• SSCHAcode / python-sscha
  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
  ☆59Updated 3 months ago
• marcobn / QETutorials
  Tutorials for Quantum Espresso
  ☆18Updated 2 years ago
• hungpham2017 / pyWannier90
  A Wannier90 python interface for VASP and PySCF
  ☆36Updated last year
• QuantumLab-ZY / HamEPC
  A machine learning workflow for calculating the electron-phonon coupling (EPC)
  ☆23Updated 5 months ago
• rehnd / VASP-plot-modes
  Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP
  ☆32Updated 10 months ago
• irreducible-representations / irrep
  ☆65Updated 3 weeks ago
• caizefeng / deltaspin
  A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP
  ☆27Updated 4 months ago
• FourPhonon / FourPhonon
  An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
  ☆65Updated 11 months ago
• cmdlab / pyGWBSE
  python workflow for GW-BSE calculation
  ☆26Updated last year
• FourPhonon / Fourthorder
  In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …
  ☆27Updated last year
• henniggroup / GASP-python
  Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
  ☆56Updated last year
• CSIprinceton / workshop-july-2023
  Deep Modeling for Molecular Simulation 2023, four-day in-person workshop, July 11-14, 2023
  ☆19Updated last year