Alternatives and similar repositories for VASP

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

• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆133Updated last month
• skelton-group / Phonopy-Spectroscopy
  A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
  ☆174Updated last week
• henniggroup / VASPsol
  Solvation model for the plane wave DFT code VASP.
  ☆164Updated last month
• QijingZheng / VaspBandUnfolding
  A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
  ☆252Updated 6 months ago
• Chengcheng-Xiao / VASP_OPT_AXIS
  Fix lattice component(s) during relaxation in VASP
  ☆126Updated 3 years ago
• tamaswells / VASP_script
  Useful scripts for VASP
  ☆194Updated 3 years ago
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆157Updated 2 weeks ago
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆134Updated 3 years ago
• QijingZheng / pyband
  band plot using python matplotlib
  ☆178Updated last year
• MabinogiX / VASP-script
  ☆125Updated 6 years ago
• SMTG-Bham / sumo
  Heavyweight plotting tools for ab initio calculations
  ☆234Updated 6 months ago
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆115Updated 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…
  ☆120Updated 3 years ago
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆182Updated this week
• afonari / emc
  Effective Mass Calculator for Semiconductors
  ☆110Updated 5 years ago
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆190Updated this week
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆88Updated last week
• FourPhonon / FourPhonon
  An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
  ☆71Updated last month
• zhangzhengde0225 / VaspCZ
  VaspCZ: an Efficient VASP Computation Assistant Program, with High Throughput Computing. 包含静态优化、过渡态计算、振动分析等
  ☆125Updated 3 years ago
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆62Updated 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
• oekosheri / GB_code
  A grain boundary generation code
  ☆78Updated 2 years ago
• pipidog / ONCVPSP
  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
  ☆90Updated 5 years ago
• B-C-WANG / VaspStudio
  An useful tool to submit your VASP job on HPC, manage your jobs and extract eneries...自动化VASP任务提交、计算结果提取，任务文件管理的工具
  ☆76Updated 5 years ago
• Ionizing / usefultools-for-vasp
  A lite tool for monitoring convergence in VASP relaxation
  ☆17Updated last year
• golddoushi / mcsolver
  A user friendly tools using Monte Carlo simulations for estimation of Curie temperature
  ☆88Updated 7 months ago
• tamaswells / VASPKIT_manual
  VASPKIT_manual markdown source!
  ☆80Updated 6 years ago
• Chengcheng-Xiao / VASP2WAN90_v2_fix
  An updated version of the VASP2WANNIER90v2 interface
  ☆103Updated 2 years ago
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆81Updated 6 months ago
• qtm-iisc / Twister
  ☆59Updated 2 years ago