Alternatives and similar repositories for qe-study

Users that are interested in qe-study are comparing it to the libraries listed below

• AdityaRoy-1996 / Phonopy_VESTA
  Export Eigenvectors from Phonopy format to VESTA
  ☆50Updated 11 months ago
• Cloudiiink / pyw90
  A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization
  ☆44Updated last year
• caizefeng / deltaspin
  A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP
  ☆33Updated last year
• WatsonGroupTCD / Occupation-matrix-control-in-VASP
  Occupation matrix control modification VASP
  ☆53Updated 6 years ago
• mxchen-2020 / kproj
  KPROJ: A Band Unfolding Program
  ☆47Updated 10 months ago
• kavanase / vaspup2.0
  VASP Convergence Testing (for Energy & Dielectric Constants)
  ☆56Updated last month
• xinqian-mit / API_Phonons
  This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.
  ☆32Updated 2 months ago
• maituoy / BayesianOpt4dftu
  ☆41Updated last year
• golddoushi / mcsolver
  A user friendly tools using Monte Carlo simulations for estimation of Curie temperature
  ☆89Updated 8 months ago
• Chengcheng-Xiao / mpiPyMC
  A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.
  ☆37Updated 3 years ago
• rehnd / VASP-plot-modes
  Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP
  ☆34Updated last year
• zjwang11 / IRVSP
  IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…
  ☆122Updated 3 years ago
• SSlakeLabTiangong / 2019_workshop
  ☆16Updated 5 years ago
• QijingZheng / VaspPoscarMayavi
  Use 3D visualization software Mayavi to visualize VASP POSCAR file.
  ☆35Updated 2 years ago
• Chengcheng-Xiao / VASP_OPT_AXIS
  Fix lattice component(s) during relaxation in VASP
  ☆128Updated 2 weeks ago
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆38Updated last year
• FourPhonon / FourPhonon
  An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
  ☆71Updated 3 weeks ago
• DerekDardzinski / vaspvis
  A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.
  ☆42Updated last year
• Infant83 / VASPBERRY
  Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code
  ☆74Updated 4 months ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆91Updated last month
• QijingZheng / pyband
  band plot using python matplotlib
  ☆177Updated last year
• qtm-iisc / Twister
  ☆60Updated 2 years ago
• vaspkit / 1st_VASPKIT_CUP
  Source codes of the 1st VASPKIT-PAPATERA CUP Awards
  ☆26Updated 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
• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆45Updated 10 months ago
• yjzhang97 / pymatgen_bs_dos_plot
  ☆23Updated 5 years ago
• pipidog / DFTtoolbox
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆44Updated 2 years ago
• kumagai-group / pydefect
  Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
  ☆63Updated 2 weeks ago
• tyst3273 / phonon-sed
  Python codes to calculate phonon spectral energy density from LAMMPS velocity data.
  ☆29Updated 4 years ago
• yuzie007 / upho
  Band unfolding for phonons
  ☆58Updated last year