Alternatives and similar repositories for VaspCZ

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

• Chengcheng-Xiao / VASP_OPT_AXIS
  Fix lattice component(s) during relaxation in VASP
  ☆121Updated 3 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
  ☆75Updated 4 years ago
• tamaswells / VASPKIT_manual
  VASPKIT_manual markdown source!
  ☆79Updated 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
• MabinogiX / VASP-script
  ☆121Updated 6 years ago
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆107Updated last year
• tamaswells / VASP_script
  Useful scripts for VASP
  ☆189Updated 3 years ago
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆60Updated 6 years ago
• raman-sc / VASP
  Python program to evaluate off-resonance Raman activity using VASP code as the backend.
  ☆172Updated 8 years ago
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆129Updated 8 months ago
• chenggroup / new-comer-tutorial
  新生入学培训资料
  ☆19Updated 2 years ago
• ryyesterday / VASP
  A collection of scripts to interpret/organize VASP output files
  ☆24Updated 8 years ago
• QijingZheng / pyband
  band plot using python matplotlib
  ☆165Updated 8 months ago
• oekosheri / GB_code
  A grain boundary generation code
  ☆69Updated last year
• BigBroSci-LVTHW / LVTHW
  ☆57Updated 7 months ago
• WatsonGroupTCD / Occupation-matrix-control-in-VASP
  Occupation matrix control modification VASP
  ☆49Updated 5 years ago
• golddoushi / mcsolver
  A user friendly tools using Monte Carlo simulations for estimation of Curie temperature
  ☆81Updated 3 months ago
• Tingliangstu / Lammps_tools
  Some scripting tools used for lammps input or output
  ☆58Updated last month
• FourPhonon / FourPhonon
  An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
  ☆65Updated last week
• QijingZheng / VaspBandUnfolding
  A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
  ☆237Updated 2 months ago
• zjwang11 / IRVSP
  IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…
  ☆116Updated 2 years ago
• afonari / emc
  Effective Mass Calculator for Semiconductors
  ☆107Updated 4 years ago
• FourPhonon / Fourthorder
  In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …
  ☆26Updated last year
• kavanase / vaspup2.0
  VASP Convergence Testing (for Energy & Dielectric Constants)
  ☆54Updated last year
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆131Updated 3 years ago
• VASPsol / VASPsol
  ☆54Updated 3 months ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆87Updated 10 months ago
• AdityaRoy-1996 / Phonopy_VESTA
  Export Eigenvectors from Phonopy format to VESTA
  ☆43Updated 6 months ago
• Ionizing / rsgrad
  A VASP calculation monitor. Written in Rust
  ☆29Updated 7 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，…
  ☆62Updated 3 years ago