sylearn / Ueff_VASPLinks
Linear Response Method for Calculating U Values in VASP
☆31Updated 5 months ago
Alternatives and similar repositories for Ueff_VASP
Users that are interested in Ueff_VASP are comparing it to the libraries listed below
Sorting:
- ☆60Updated last year
- VASPKIT_manual markdown source!☆81Updated 6 years ago
- scripts related to qe☆27Updated 3 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆63Updated 6 years ago
- Fix lattice component(s) during relaxation in VASP☆133Updated last month
- 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,…☆67Updated 4 years ago
- 新生入学培训资料☆18Updated 3 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆89Updated 9 months ago
- ☆23Updated 5 years ago
- ☆127Updated 6 years ago
- ab-initio nonadiabatic molecular dynamics program☆116Updated last year
- some toolkits for VASP☆33Updated 4 years ago
- 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…☆57Updated 6 years ago
- band plot using python matplotlib☆178Updated last year
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆44Updated last year
- Effective Mass Calculator for Semiconductors☆111Updated 5 years ago
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆42Updated last year
- Some scripting tools used for lammps input or output☆62Updated 7 months ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆78Updated 5 months ago
- ☆24Updated this week
- Tutorials for Quantum Espresso☆25Updated 3 years ago
- KPROJ: A Band Unfolding Program☆47Updated 11 months ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆123Updated 3 years ago
- ☆41Updated last year
- An introduction to DFT.☆14Updated last year
- Useful scripts for VASP☆194Updated 4 years ago
- 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☆125Updated 3 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Updated 6 years ago
- 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☆75Updated 5 years ago