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
  ☆128Updated 7 months ago
• QijingZheng / pyband
  band plot using python matplotlib
  ☆166Updated 7 months ago
• QijingZheng / VaspBandUnfolding
  A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
  ☆237Updated last month
• Chengcheng-Xiao / VASP_OPT_AXIS
  Fix lattice component(s) during relaxation in VASP
  ☆119Updated 3 years ago
• skelton-group / Phonopy-Spectroscopy
  A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
  ☆165Updated last week
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆106Updated last year
• henniggroup / VASPsol
  Solvation model for the plane wave DFT code VASP.
  ☆153Updated 11 months ago
• MabinogiX / VASP-script
  ☆119Updated 6 years ago
• tamaswells / VASP_script
  Useful scripts for VASP
  ☆188Updated 3 years ago
• zjwang11 / IRVSP
  IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…
  ☆115Updated 2 years ago
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆130Updated 3 years ago
• afonari / emc
  Effective Mass Calculator for Semiconductors
  ☆106Updated 4 years ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆87Updated 9 months ago
• tamaswells / VASPKIT_manual
  VASPKIT_manual markdown source!
  ☆79Updated 6 years ago
• oekosheri / GB_code
  A grain boundary generation code
  ☆68Updated last year
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆150Updated 3 weeks ago
• SMTG-Bham / doped
  doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…
  ☆191Updated this week
• Chengcheng-Xiao / VASP2WAN90_v2_fix
  An updated version of the VASP2WANNIER90v2 interface
  ☆93Updated last year
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆80Updated last month
• pipidog / ONCVPSP
  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
  ☆82Updated 5 years ago
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆170Updated 2 weeks ago
• pranabdas / espresso
  Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.
  ☆135Updated 2 weeks ago
• 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
  ☆122Updated 3 years ago
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆183Updated last week
• SMTG-Bham / sumo
  Heavyweight plotting tools for ab initio calculations
  ☆225Updated last month
• WatsonGroupTCD / Occupation-matrix-control-in-VASP
  Occupation matrix control modification VASP
  ☆49Updated 5 years ago
• FourPhonon / FourPhonon
  An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
  ☆66Updated last year
• golddoushi / mcsolver
  A user friendly tools using Monte Carlo simulations for estimation of Curie temperature
  ☆79Updated 2 months ago
• materialsproject / workshop
  The Materials Project Workshop Curriculum
  ☆116Updated 2 years ago
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆60Updated 6 years ago