Alternatives and similar repositories for VaspStudio

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

• 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
• Chengcheng-Xiao / VASP_OPT_AXIS
  Fix lattice component(s) during relaxation in VASP
  ☆136Updated 2 months ago
• tamaswells / VASP_script
  Useful scripts for VASP
  ☆196Updated 4 years ago
• tamaswells / VASPKIT_manual
  VASPKIT_manual markdown source!
  ☆82Updated 6 years ago
• MabinogiX / VASP-script
  ☆128Updated 6 years ago
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆136Updated 3 months 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
• Tingliangstu / Lammps_tools
  Some scripting tools used for lammps input or output
  ☆62Updated 8 months ago
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆64Updated 6 years ago
• ryyesterday / VASP
  A collection of scripts to interpret/organize VASP output files
  ☆24Updated 9 years ago
• tyst3273 / phonon-sed
  Python codes to calculate phonon spectral energy density from LAMMPS velocity data.
  ☆29Updated 5 years ago
• Ionizing / usefultools-for-vasp
  A lite tool for monitoring convergence in VASP relaxation
  ☆17Updated last year
• QijingZheng / pyband
  band plot using python matplotlib
  ☆179Updated last year
• oekosheri / GB_code
  A grain boundary generation code
  ☆80Updated 2 years ago
• golddoushi / mcsolver
  A user friendly tools using Monte Carlo simulations for estimation of Curie temperature
  ☆90Updated 9 months ago
• raman-sc / VASP
  Python program to evaluate off-resonance Raman activity using VASP code as the backend.
  ☆179Updated 3 weeks ago
• FourPhonon / FourPhonon
  An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
  ☆74Updated 2 months ago
• aboys-cb / NepTrainKit
  NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.
  ☆111Updated 2 weeks ago
• FourPhonon / Fourthorder
  In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …
  ☆28Updated 2 years ago
• WatsonGroupTCD / Occupation-matrix-control-in-VASP
  Occupation matrix control modification VASP
  ☆53Updated 6 years ago
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆116Updated last year
• maituoy / BayesianOpt4dftu
  ☆42Updated last year
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆90Updated 2 months ago
• cndaqiang / DFT-EXERCISES
  DENSITY FUNCTIONAL THEORY EXERCISES. 本习题解答针对 DAVID S. SHOLL 的 Density functional theory: a practical introduction[1]一书。理论依据为密度泛函(DFT)理论，…
  ☆66Updated 4 years ago
• c-niu / sqs2poscar
  A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.
  ☆38Updated 9 years ago
• kavanase / vaspup2.0
  VASP Convergence Testing (for Energy & Dielectric Constants)
  ☆56Updated 2 months ago
• AdityaRoy-1996 / Phonopy_VESTA
  Export Eigenvectors from Phonopy format to VESTA
  ☆51Updated last year
• zhyan0603 / GPUMDkit
  A Toolkit for GPUMD&NEP
  ☆104Updated this week
• vaspkit / 1st_VASPKIT_CUP
  Source codes of the 1st VASPKIT-PAPATERA CUP Awards
  ☆27Updated 6 years ago
• Tingliangstu / pySED
  To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.
  ☆51Updated last week