Alternatives and similar repositories for DFT-EXERCISES

Users that are interested in DFT-EXERCISES are comparing it to the libraries listed below

• tamaswells / VASPKIT_manual
  VASPKIT_manual markdown source!
  ☆80Updated 6 years ago
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆62Updated 6 years ago
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆114Updated last year
• WatsonGroupTCD / Occupation-matrix-control-in-VASP
  Occupation matrix control modification VASP
  ☆50Updated 6 years ago
• yangjio4849 / TransOpt
  The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…
  ☆55Updated 3 years ago
• golddoushi / mcsolver
  A user friendly tools using Monte Carlo simulations for estimation of Curie temperature
  ☆85Updated 5 months ago
• afonari / emc
  Effective Mass Calculator for Semiconductors
  ☆110Updated 4 years ago
• BigBroSci-LVTHW / LVTHW
  ☆57Updated 9 months ago
• yjzhang97 / pymatgen_bs_dos_plot
  ☆22Updated 4 years ago
• vaspkit / 1st_VASPKIT_CUP
  Source codes of the 1st VASPKIT-PAPATERA CUP Awards
  ☆26Updated 5 years ago
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆37Updated last year
• keeeto / VASP-Elastic
  Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities
  ☆26Updated 9 years ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆88Updated last year
• Ionizing / wavecar_parser
  VASP WAVECAR parser (Plotting pseudo wavefunction and get wavecar brief info)
  ☆16Updated 3 years ago
• Forerain / vasp_examples
  ☆22Updated 5 years ago
• pyatb / pyatb
  Ab initio tight binding simuation package
  ☆30Updated 2 months ago
• Chengcheng-Xiao / mpiPyMC
  A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.
  ☆36Updated 3 years ago
• maituoy / BayesianOpt4dftu
  ☆39Updated last year
• pipidog / DFTtoolbox
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆43Updated 2 years ago
• haidi-ustc / maptools
  A open source program for materials simulation data process, which is mainly based on Pymatgen code
  ☆22Updated 5 years ago
• mbkumar / pycdt
  ☆57Updated 3 years ago
• ryyesterday / VASP
  A collection of scripts to interpret/organize VASP output files
  ☆24Updated 8 years ago
• Infant83 / VASPBERRY
  Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code
  ☆71Updated last month
• QijingZheng / VaspPoscarMayavi
  Use 3D visualization software Mayavi to visualize VASP POSCAR file.
  ☆34Updated 2 years ago
• Tingliangstu / Lammps_tools
  Some scripting tools used for lammps input or output
  ☆60Updated 3 months ago
• FourPhonon / FourPhonon
  An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
  ☆69Updated 2 months ago
• Ionizing / usefultools-for-vasp
  A lite tool for monitoring convergence in VASP relaxation
  ☆17Updated last year
• Chengcheng-Xiao / VASP_OPT_AXIS
  Fix lattice component(s) during relaxation in VASP
  ☆123Updated 3 years ago
• mxchen-2020 / kproj
  KPROJ: A Band Unfolding Program
  ☆46Updated 7 months ago
• kavanase / vaspup2.0
  VASP Convergence Testing (for Energy & Dielectric Constants)
  ☆55Updated last year