Fix lattice component(s) during relaxation in VASP
☆148Nov 27, 2025Updated 11 months ago
Alternatives and similar repositories for VASP_OPT_AXIS
Users that are interested in VASP_OPT_AXIS are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Code to convert DFPT modes in OUTCAR files to VESTA images☆27Aug 14, 2022Updated 4 years ago
- DFT post processing tools☆26Jul 24, 2024Updated 2 years ago
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆39Dec 26, 2021Updated 4 years ago
- some toolkits for VASP☆36Apr 30, 2021Updated 5 years ago
- Export Eigenvectors from Phonopy format to VESTA☆57Dec 24, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Electronic transport properties from first-principles calculations☆164Updated this week
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆19Dec 18, 2022Updated 3 years ago
- This GitHub repository contains additional information supporting published manuscripts☆21Sep 9, 2024Updated 2 years ago
- Builds 2D heterostructures via coincidence lattice theory.☆16Nov 21, 2023Updated 2 years ago
- An updated version of the VASP2WANNIER90v2 interface☆111Sep 19, 2023Updated 3 years ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆138May 26, 2026Updated 5 months ago
- A Python library for electronic structure pre/post-processing☆225Oct 10, 2026Updated 3 weeks ago
- quick analysis of vasp calculation☆38Jun 7, 2024Updated 2 years ago
- Linear Response Method for Calculating U Values in VASP☆35Jul 24, 2025Updated last year
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- A software to calculate thermal conductivity quickly and accurately☆39Feb 20, 2020Updated 6 years ago
- GPUMD and LAMMPS helper functions for thermal computations☆10May 21, 2022Updated 4 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆60May 23, 2026Updated 5 months ago
- Python program for analyzing the output files of phonopy.☆15Sep 14, 2021Updated 5 years ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆15Nov 17, 2023Updated 2 years ago
- Band unfolding for phonons☆64Oct 23, 2024Updated 2 years ago
- ☆84Oct 8, 2024Updated 2 years ago
- Calculate higher-order elastic constant by first-principles or machine learning force field (interatomic potential)☆13Oct 24, 2026Updated last week
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆98Oct 9, 2026Updated 3 weeks ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆285Updated this week
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆295Apr 27, 2026Updated 6 months ago
- Add on-site SOC to Wannier Hamiltonian.☆18Mar 24, 2021Updated 5 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Dec 5, 2021Updated 4 years ago
- band plot using python matplotlib☆187Oct 30, 2024Updated 2 years ago
- Dealing with slabs for first principles calculations of surfaces☆71Sep 17, 2023Updated 3 years ago
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- ☆19Jan 27, 2020Updated 6 years ago
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆96Apr 3, 2025Updated last year
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Solvation model for the plane wave DFT code VASP.☆181Oct 1, 2025Updated last year
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Sep 27, 2019Updated 7 years ago
- Useful scripts for VASP☆207Dec 28, 2021Updated 4 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆32Aug 5, 2020Updated 6 years ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using MPI pa…☆11Jun 16, 2021Updated 5 years ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆18Dec 8, 2022Updated 3 years ago
- ab-initio nonadiabatic molecular dynamics program☆129May 21, 2024Updated 2 years ago