B-C-WANG / VaspStudioLinks
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
☆76Updated 4 years ago
Alternatives and similar repositories for VaspStudio
Users that are interested in VaspStudio are comparing it to the libraries listed below
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☆122Updated 3 years ago
- Useful scripts for VASP☆191Updated 3 years ago
- ☆121Updated 6 years ago
- Fix lattice component(s) during relaxation in VASP☆123Updated 3 years ago
- VASPKIT_manual markdown source!☆79Updated 6 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆61Updated 6 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- band plot using python matplotlib☆166Updated 9 months ago
- ☆57Updated 8 months ago
- A lite tool for monitoring convergence in VASP relaxation☆16Updated last year
- ab-initio nonadiabatic molecular dynamics program☆109Updated last year
- Phonon anharmonicity analysis from molecular dynamics☆130Updated 9 months ago
- Some scripting tools used for lammps input or output☆59Updated 2 months ago
- A collection of scripts to interpret/organize VASP output files☆24Updated 8 years ago
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆173Updated 8 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…☆55Updated 6 years ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆27Updated 4 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆26Updated 5 years ago
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆84Updated 4 months ago
- A grain boundary generation code☆69Updated last year
- 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，…☆63Updated 3 years ago
- Occupation matrix control modification VASP☆49Updated 5 years ago
- Export Eigenvectors from Phonopy format to VESTA☆46Updated 7 months ago
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆27Updated last year
- KPROJ: A Band Unfolding Program☆45Updated 6 months ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆67Updated last month
- ☆39Updated last year
- New ASE compliant Python interface to VASP☆132Updated 3 years ago
- An updated version of the VASP2WANNIER90v2 interface☆97Updated last year
- ☆57Updated 3 months ago