create wavefunction file from selected spin, kpoint and band index in VASP wavecar
☆14Jan 24, 2022Updated 4 years ago
Alternatives and similar repositories for vaspwfc
Users that are interested in vaspwfc are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Visualize vibrational modes from VASP calculations☆47Jan 20, 2025Updated last year
- ☆38Oct 8, 2019Updated 6 years ago
- Calculates self-consistent Fermi level given defect formation energies and the density of states.☆14Jan 15, 2020Updated 6 years ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆35Jun 26, 2023Updated 2 years ago
- Transition Dipole Moments from VASP WAVECAR☆25Oct 2, 2022Updated 3 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- CPLAP is a program designed to determine the thermodynamical stability of a material, and, if it is stable, to determine the ranges of th…☆20Oct 29, 2025Updated 7 months ago
- ☆20Jan 22, 2022Updated 4 years ago
- Band alignment plotting tool☆27Mar 28, 2025Updated last year
- A script for calculating Fermi-Softness.☆13Feb 17, 2022Updated 4 years ago
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 5 years ago
- DMFT with CTQMC. The Dynamical Mean Field Theory (DMFT) with the continuous-time auxiliary-field Quantum Monte Carlo method with Julia 1.…☆20Aug 9, 2018Updated 7 years ago
- An interface for ELK-Wannier90 calculations☆16Oct 13, 2020Updated 5 years ago
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆36Nov 2, 2021Updated 4 years ago
- A framework to treat strongly correlated materials using beyond-DFT methods☆25Dec 1, 2020Updated 5 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- AiiDA plugin for the Wannier90 code☆12May 10, 2024Updated 2 years ago
- Embedding module for VASP and tools for its use.☆10Feb 20, 2025Updated last year
- DFT-D3 interface☆12Apr 3, 2023Updated 3 years ago
- Tools required to calculate the SLME of materials☆13Aug 28, 2024Updated last year
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Sep 5, 2023Updated 2 years ago
- Computes the dark matter-phonon scattering rate for a general scattering potential.☆13Mar 21, 2023Updated 3 years ago
- DMRG and DMRGSCF☆15Mar 8, 2024Updated 2 years ago
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆279Apr 27, 2026Updated last month
- Interfacial heat conductance☆14Sep 7, 2024Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆41Sep 13, 2020Updated 5 years ago
- A phonon irreducible representations calculator☆23Apr 11, 2024Updated 2 years ago
- ☆11Nov 10, 2020Updated 5 years ago
- Exchange parameters of Heisenberg model calculation via Green's function approach☆35Feb 27, 2024Updated 2 years ago
- Electronic structure code using G0W0 and GW0 calculations for realistic materials☆11Aug 24, 2020Updated 5 years ago
- ☆24Nov 10, 2020Updated 5 years ago
- A library of Python modules for reading/writing and manipulating data associated with the wannier90 code☆14Mar 30, 2021Updated 5 years ago
- A Fortran90 program for unfolding phonon dispersions☆11Jun 12, 2020Updated 5 years ago
- A general parser for VASP☆15May 19, 2026Updated last week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆22Sep 17, 2018Updated 7 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
- Multi-Threaded Bader Charge Partitioning☆17Mar 17, 2026Updated 2 months ago
- Julia package for the quantum cluster theories in condensed matter physics, including cluster perturbation theory (CPT), variational clus…☆13May 18, 2026Updated last week
- The official AiiDA plugin for Phonopy☆23May 4, 2026Updated 3 weeks ago
- Finite-temperature variational Monte Carlo calculation of uniform electron gas using neural canonical transformation.☆16Jun 17, 2023Updated 2 years ago
- General post-processing scripts used for my research☆18Apr 17, 2018Updated 8 years ago