High-throughput calculation framework for VASP
☆25Aug 12, 2025Updated 6 months ago
Alternatives and similar repositories for VASP_HTC_framework
Users that are interested in VASP_HTC_framework are comparing it to the libraries listed below
Sorting:
- vasp calculation flow☆22Sep 24, 2023Updated 2 years ago
- ☆17Oct 6, 2025Updated 4 months ago
- High-throughput simulation for crystalline interfaces☆17Jan 22, 2026Updated last month
- Extension of almaBTE's Monte Carlo code beyond the relaxation-time approximation.☆10Sep 24, 2023Updated 2 years ago
- Scripts to extract various properties from VASP OUTCAR file☆12Jul 30, 2023Updated 2 years ago
- Python code for twisting the 2D materials.☆30Dec 8, 2022Updated 3 years ago
- Code to convert DFPT modes in OUTCAR files to VESTA images☆26Aug 14, 2022Updated 3 years ago
- A software to calculate thermal conductivity quickly and accurately☆35Feb 20, 2020Updated 6 years ago
- Open-source first-principles computational toolkit for the efficient calculation of the strength of materials in 1D, 2D, and 3D materials…☆24Mar 29, 2025Updated 11 months ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆28Dec 10, 2024Updated last year
- Open Source Mycetoma's First Series of Molecules☆10Sep 22, 2025Updated 5 months ago
- XMU Chenglab Wiki☆99Jul 7, 2025Updated 7 months ago
- ☆25Oct 11, 2021Updated 4 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Jun 23, 2020Updated 5 years ago
- DFT post processing tools☆26Jul 24, 2024Updated last year
- Construct phonon tight-binding model and calculate its topological properties☆27Sep 15, 2019Updated 6 years ago
- ☆62Jul 19, 2022Updated 3 years ago
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆179Jan 7, 2026Updated last month
- Electronic transport properties from first-principles calculations☆158Feb 23, 2026Updated last week
- A python class for parsing VASP XDATCAR from molecular dynamics☆26Sep 13, 2024Updated last year
- Interfacial Phonon code☆28Jul 31, 2022Updated 3 years ago
- Some scripting tools used for lammps input or output☆63May 19, 2025Updated 9 months ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆33Jan 6, 2026Updated last month
- A VASP calculation monitor. Written in Rust☆30Nov 13, 2025Updated 3 months ago
- DensityTool post-processing program for VASP☆31Nov 29, 2023Updated 2 years ago
- Useful scripts for VASP☆200Dec 28, 2021Updated 4 years ago
- ☆29Apr 17, 2022Updated 3 years ago
- A Curated Dataset of Crystal Structures and Experimentally Measured Ionic Conductivities for Lithium Solid-State Electrolytes☆50Nov 27, 2025Updated 3 months ago
- ☆11Apr 17, 2025Updated 10 months ago
- Tools for Phono(3)py power users.☆35Oct 23, 2023Updated 2 years ago
- Metal Activity Heuristic of Metalloprotein and Enzymatic Sites (MAHOMES) - Predicts if a protein bound metal ion is enzymatic or non-enzy…☆11Apr 19, 2022Updated 3 years ago
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 5 years ago
- Collection of Tools for Computational Materials Science☆12Nov 1, 2022Updated 3 years ago
- آموزش برنامه نویسی شئ گرایی در پایتون☆11Aug 9, 2022Updated 3 years ago
- Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)☆17Feb 20, 2026Updated last week
- ☆10Sep 9, 2023Updated 2 years ago
- ☆12Feb 6, 2026Updated 3 weeks ago
- This is the repository of the EnviroDetaNet☆13Sep 3, 2024Updated last year
- Fork of Triton repository for OpenXLA uses of the Triton language and compiler☆15Updated this week