Alternatives and similar repositories for Plane_Wave_DFT:

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

• Sassafrass6 / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)
  ☆22Updated last year
• atomicarchitects / phonax
  ☆19Updated 11 months ago
• mzjb / xDeepH
  Extended DeepH (xDeepH) method for magnetic materials.
  ☆35Updated last year
• tdep-developers / tdep-tutorials
  TDEP Tutorials
  ☆24Updated 2 months ago
• argonne-lcf / active-learning-md
  Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…
  ☆27Updated 3 years ago
• pylada / pylada-defects
  A computational framework to automate point defect calculations
  ☆35Updated 6 years ago
• QijingZheng / VaspPoscarMayavi
  Use 3D visualization software Mayavi to visualize VASP POSCAR file.
  ☆29Updated last year
• pmla / evgraf
  Geometric analysis of crystal structures
  ☆15Updated 2 years ago
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆31Updated last year
• caizefeng / deltaspin
  A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP
  ☆24Updated 3 months ago
• kylebystrom / pawpyseed
  Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
  ☆32Updated 3 years ago
• ml-electron-project / NNfunctional
  ☆36Updated 5 years ago
• jochym / abinitio-methods
  Lecture materials for: Ab initio methods in solid state physics.
  ☆21Updated 2 months ago
• hungpham2017 / pyWannier90
  A Wannier90 python interface for VASP and PySCF
  ☆36Updated last year
• lyg-ucl / md2d
  MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics
  ☆21Updated 2 years ago
• materialsproject / pyrho
  ☆39Updated this week
• deepmodeling / DeePTB
  DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.
  ☆63Updated 2 weeks ago
• maise-guide / maise
  MAISE Module for Ab Initio Structure Evolution (MAISE)
  ☆33Updated 7 months ago
• aiidateam / aiida-wannier90-workflows
  A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code
  ☆17Updated last week
• pyatb / pyatb
  Ab initio tight binding simuation package
  ☆22Updated last year
• rubel75 / fold2Bloch-VASP
  Unfolding the band structure of a supercell obtained with VASP
  ☆24Updated 2 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
• cmdlab / pyGWBSE
  python workflow for GW-BSE calculation
  ☆25Updated last year
• bjmorgan / py-sc-fermi
  py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…
  ☆25Updated last month
• rashidrafeek / Quantum-ESPRESSO-scripts
  Python scripts to postprocess Quantum Espresso calclations.
  ☆18Updated 4 years ago
• libAtoms / workflow
  python workflow toolkit
  ☆37Updated this week
• flokno / tools.tdep
  ☆18Updated 2 months ago
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆29Updated 2 years ago
• abelcarreras / posym
  Point symmetry analysis tool for theoretical chemistry objects
  ☆20Updated 5 months ago