orest-d / p4vasp

Related projects ⓘ

Alternatives and complementary repositories for p4vasp

• Chengcheng-Xiao / VASP_OPT_AXIS
  Fix lattice component(s) during relaxation in VASP
  ☆105Updated 2 years ago
• QijingZheng / pyband
  band plot using python matplotlib
  ☆155Updated 3 weeks ago
• raman-sc / VASP
  Python program to evaluate off-resonance Raman activity using VASP code as the backend.
  ☆162Updated 8 years ago
• QijingZheng / VaspBandUnfolding
  A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
  ☆214Updated last month
• tamaswells / VASPKIT_manual
  VASPKIT_manual markdown source!
  ☆78Updated 5 years ago
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆114Updated 2 weeks ago
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆98Updated 6 months ago
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆139Updated 2 weeks ago
• Chengcheng-Xiao / VASP2WAN90_v2_fix
  An updated version of the VASP2WANNIER90v2 interface
  ☆88Updated last year
• Angel-Jia / VASP-script
  ☆111Updated 5 years ago
• tamaswells / VASP_script
  Useful scripts for VASP
  ☆182Updated 2 years ago
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆122Updated 2 years ago
• skelton-group / Phonopy-Spectroscopy
  A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
  ☆146Updated 8 months ago
• SMTG-Bham / sumo
  Heavyweight plotting tools for ab initio calculations
  ☆201Updated last week
• SMTG-Bham / doped
  doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…
  ☆140Updated this week
• zjwang11 / IRVSP
  IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…
  ☆106Updated 2 years ago
• henniggroup / VASPsol
  Solvation model for the plane wave DFT code VASP.
  ☆136Updated 4 months ago
• golddoushi / mcsolver
  A user friendly tools using Monte Carlo simulations for estimation of Curie temperature
  ☆71Updated 6 months ago
• afonari / emc
  Effective Mass Calculator for Semiconductors
  ☆102Updated 4 years ago
• quanshengwu / wannier_tools
  WannierTools: An open-source software package for novel topological materials. Full documentation:
  ☆261Updated last week
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆171Updated last month
• 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
  ☆72Updated 4 years ago
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆114Updated last month
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆134Updated 2 weeks ago
• quantumNerd / Quantum-Espresso-Tutorial-2019-Projects
  ☆199Updated 4 years 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，…
  ☆55Updated 3 years ago
• band-unfolding / bandup
  BandUP: Band Unfolding code for Plane-wave based calculations
  ☆99Updated 3 years ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆84Updated 2 months ago
• FourPhonon / FourPhonon
  An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
  ☆62Updated 7 months ago
• pipidog / ONCVPSP
  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
  ☆69Updated 4 years ago