Alternatives and similar repositories for pyvaspflow

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

• ponychen123 / Vasptools
  some toolkits for VASP
  ☆32Updated 4 years ago
• conodipaola / kg4vasp
  Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP
  ☆26Updated 5 years ago
• vaspkit / 1st_VASPKIT_CUP
  Source codes of the 1st VASPKIT-PAPATERA CUP Awards
  ☆26Updated 6 years ago
• haidi-ustc / maptools
  A open source program for materials simulation data process, which is mainly based on Pymatgen code
  ☆23Updated 6 years ago
• SSlakeLabTiangong / 2019_workshop
  ☆16Updated 5 years ago
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆38Updated last year
• maituoy / BayesianOpt4dftu
  ☆41Updated last year
• lxf-gzu / vasp_small_script
  ☆19Updated 6 years ago
• jichunlian / disorder
  A code for generating irreducible site-occupancy configurations
  ☆51Updated last year
• kavanase / vaspup2.0
  VASP Convergence Testing (for Energy & Dielectric Constants)
  ☆56Updated last month
• bigbrosci / q-robot
  ☆24Updated 2 months ago
• Chengcheng-Xiao / Tools
  DFT post processing tools
  ☆26Updated last year
• JaGeo / IR
  Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP
  ☆29Updated 4 years ago
• SSlakeLabTiangong / 2020_webinar
  ☆12Updated 5 years ago
• Forerain / vasp_examples
  ☆22Updated 5 years ago
• gabkrenzer / PhononFlow
  A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.
  ☆34Updated 3 years ago
• jrschmidt2 / periodic-NBO
  ☆36Updated 6 years ago
• michelegalasso / automag
  Automatic search for the most stable magnetic state of a given structure
  ☆25Updated 2 years ago
• hitliaomq / ELASTIC3rd
  Calculate 3rd order elastic constant.
  ☆13Updated 8 months ago
• xinqian-mit / API_Phonons
  This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.
  ☆32Updated last week
• DerekDardzinski / vaspvis
  A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.
  ☆42Updated last year
• yangjio4849 / TransOpt
  The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…
  ☆55Updated 3 years ago
• Tingliangstu / New-Version-Spectral-decomposition-python-tools
  (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.
  ☆32Updated last year
• rashidrafeek / Quantum-ESPRESSO-scripts
  Python scripts to postprocess Quantum Espresso calclations.
  ☆20Updated 5 years ago
• keeeto / VASP-Elastic
  Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities
  ☆26Updated 10 years ago
• yyyu200 / DFTbook
  An introduction to DFT.
  ☆14Updated last year
• yh-phys / vasp_tools
  Some useful vasp scripts and tools
  ☆22Updated 6 years ago
• 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
• Tingliangstu / PPR-Phonon-Participation-Ratio
  Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …
  ☆24Updated 2 months ago