Linear Response Method for Calculating U Values in VASP
☆35Jul 24, 2025Updated last year
Alternatives and similar repositories for Ueff_VASP
Users that are interested in Ueff_VASP are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A multipurpose Fortran2003+MPI suite of codes for the simulation of spin dynamics at the atomistic level. The code is developed to readil…☆13Jul 16, 2025Updated last year
- Fix lattice component(s) during relaxation in VASP☆146Nov 27, 2025Updated 9 months ago
- ☆42Feb 21, 2024Updated 2 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆65May 30, 2019Updated 7 years ago
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆95Apr 3, 2025Updated last year
- 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.
- A Vim/Neovim syntax plugin for VASP's input files☆13Apr 23, 2025Updated last year
- Computational Materials Science(Book)☆133May 9, 2026Updated 4 months ago
- some toolkits for VASP☆35Apr 30, 2021Updated 5 years ago
- a workflow to do constant potential thermodynamic integration in VASP☆12Dec 19, 2024Updated last year
- ☆62Dec 5, 2024Updated last year
- Multiscale exploration of informative latent features for accurate deep eutectic solvents viscosity prediction☆10Jun 16, 2026Updated 3 months ago
- ABACUS开源软件的中文用户文档☆52Jul 31, 2026Updated last month
- A script for calculating Fermi-Softness.☆13Feb 17, 2022Updated 4 years ago
- Scripts to extract various properties from VASP OUTCAR file☆12Jul 30, 2023Updated 3 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆79Oct 8, 2024Updated last year
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆14Jul 13, 2023Updated 3 years ago
- Script to generate distorted perovskite structures☆13Feb 10, 2024Updated 2 years ago
- 根据SciHub CRX改良的油猴脚本SciHub CRX New Generation,助力每一个科研梦(x☆20Dec 29, 2022Updated 3 years ago
- Drawing three dimensional bulk and surface Brillouin Zones.☆39Jan 19, 2025Updated last year
- ☆94Apr 16, 2025Updated last year
- ☆17Dec 13, 2022Updated 3 years ago
- Repository for material from the 2022 MC/MD Summer Workshop☆15Jul 12, 2024Updated 2 years ago
- Visualize interactively phonon dispersions and their eigenvectors☆15Feb 7, 2025Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.☆90Aug 4, 2026Updated last month
- scripts related to qe☆28Jan 14, 2022Updated 4 years ago
- 收录SC小组在学习高性能计算、分布式架构、数据挖掘与人工智能方向的笔记和材料☆15Oct 29, 2021Updated 4 years ago
- do the performance test of ABACUS☆28Updated this week
- 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,…☆69Aug 27, 2021Updated 5 years ago
- ☆25Oct 11, 2021Updated 4 years ago
- Sample codes on computational solid state physics☆17Aug 15, 2020Updated 6 years ago
- vasp calculation flow☆22Sep 24, 2023Updated 2 years ago
- NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.☆133Sep 14, 2026Updated last week
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Useful scripts for VASP☆207Dec 28, 2021Updated 4 years ago
- ☆11Nov 10, 2020Updated 5 years ago
- SD 提示词 | stable-diffusion-prompts | SD 指南 🚀🚀🚀☆16Nov 20, 2023Updated 2 years ago
- ☆33May 25, 2026Updated 3 months ago
- ☆17Feb 12, 2026Updated 7 months ago
- Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening☆128Oct 8, 2024Updated last year
- Derivation and construction of a thermodynamic phase diagram for ternary alloy systems with 2 or 3 phases☆18Jun 16, 2020Updated 6 years ago