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
☆75Sep 18, 2020Updated 5 years ago
Alternatives and similar repositories for VaspStudio
Users that are interested in VaspStudio are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- VaspCZ: an Efficient VASP Computation Assistant Program, with High Throughput Computing. 包含静态优化、过渡态计算、振动分析等☆127Feb 22, 2022Updated 4 years ago
- ☆12Feb 28, 2020Updated 6 years ago
- Useful scripts for VASP☆201Dec 28, 2021Updated 4 years ago
- Manipulating VASP files with Python.☆294Jun 19, 2022Updated 3 years ago
- ☆24Nov 10, 2020Updated 5 years ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Sep 10, 2025Updated 7 months ago
- Magnetic critical temperature Calculator☆18Apr 2, 2024Updated 2 years ago
- some toolkits for VASP☆34Apr 30, 2021Updated 4 years ago
- Occupation matrix control modification VASP☆56Sep 11, 2019Updated 6 years ago
- Installation steps for various programs like VASP, LAMMPS, Quantum Espresso, Siesta in parallel☆16Jul 26, 2020Updated 5 years ago
- ☆131Feb 21, 2019Updated 7 years ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- Unfolding the band structure of a supercell obtained with VASP☆25Dec 28, 2022Updated 3 years ago
- Converts the VASP WAVECAR to UNK files for wannier90.☆25Jun 9, 2020Updated 5 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- p4vasp, the VASP Visualization Tool☆155May 21, 2022Updated 3 years ago
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆183Jan 7, 2026Updated 3 months ago
- 机器学习预测表面物种性质 Predict property on surface using machine learning with SOAP encode☆17Dec 27, 2018Updated 7 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Aug 5, 2020Updated 5 years ago
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆275Updated this week
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆29Apr 18, 2019Updated 7 years ago
- Tools required to calculate the SLME of materials☆13Aug 28, 2024Updated last year
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆37Apr 19, 2024Updated 2 years ago
- quick analysis of vasp calculation☆38Jun 7, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆59Jul 15, 2019Updated 6 years ago
- ☆16Feb 27, 2020Updated 6 years ago
- An introduction to DFT.☆14May 17, 2024Updated last year
- Fix lattice component(s) during relaxation in VASP☆141Nov 27, 2025Updated 4 months ago
- ☆13Sep 14, 2025Updated 7 months ago
- DFT post processing tools☆26Jul 24, 2024Updated last year
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 4 months ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Sep 27, 2019Updated 6 years ago
- VASPKIT_manual markdown source!☆82May 29, 2019Updated 6 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆73May 20, 2025Updated 10 months ago
- Code to convert DFPT modes in OUTCAR files to VESTA images☆26Aug 14, 2022Updated 3 years ago
- ☆38Oct 8, 2019Updated 6 years ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆45Aug 23, 2023Updated 2 years ago
- A play ground for PythTb, Kwant, Pybinding and Wannier90 👾, and MORE☆13Mar 25, 2019Updated 7 years ago
- POST code for second order elastic constant☆45Apr 14, 2020Updated 6 years ago
- A book on modeling materials using VASP, ase and vasp☆428Mar 30, 2026Updated 2 weeks ago