zhangzhengde0225 / VaspCZLinks
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
☆123Updated 3 years ago
Alternatives and similar repositories for VaspCZ
Users that are interested in VaspCZ are comparing it to the libraries listed below
Sorting:
- 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
- Fix lattice component(s) during relaxation in VASP☆123Updated 3 years ago
- Useful scripts for VASP☆195Updated 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
- ab-initio nonadiabatic molecular dynamics program☆114Updated last year
- VASPKIT_manual markdown source!☆80Updated 6 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆62Updated 6 years ago
- Phonon anharmonicity analysis from molecular dynamics☆130Updated last week
- Some scripting tools used for lammps input or output☆60Updated 3 months ago
- ☆124Updated 6 years ago
- band plot using python matplotlib☆172Updated 10 months ago
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆173Updated 8 years ago
- ☆57Updated 9 months ago
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆246Updated 4 months ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆27Updated 4 years ago
- A grain boundary generation code☆74Updated 2 years ago
- ☆57Updated 3 years ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆168Updated last month
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆85Updated 5 months ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆119Updated 2 years ago
- 新生入学培训资料☆19Updated 2 years ago
- Occupation matrix control modification VASP☆50Updated 6 years ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆69Updated 2 months ago
- New ASE compliant Python interface to VASP☆132Updated 3 years ago
- Export Eigenvectors from Phonopy format to VESTA☆47Updated 8 months 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
- An updated version of the VASP2WANNIER90v2 interface☆99Updated last year
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆62Updated 2 weeks ago
- Ab initio tight binding simuation package☆30Updated 2 months ago
- KPROJ: A Band Unfolding Program☆46Updated 7 months ago