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
☆125Updated 3 years ago
Alternatives and similar repositories for VaspCZ
Users that are interested in VaspCZ are comparing it to the libraries listed below
Sorting:
- ☆127Updated 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☆76Updated 5 years ago
- Fix lattice component(s) during relaxation in VASP☆128Updated last week
- Useful scripts for VASP☆194Updated 3 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆62Updated 6 years ago
- VASPKIT_manual markdown source!☆80Updated 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
- ☆59Updated last year
- Some scripting tools used for lammps input or output☆62Updated 6 months ago
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆180Updated 9 years ago
- band plot using python matplotlib☆177Updated last year
- Phonon anharmonicity analysis from molecular dynamics☆134Updated 2 months ago
- ab-initio nonadiabatic molecular dynamics program☆116Updated last year
- ☆60Updated 3 years ago
- Export Eigenvectors from Phonopy format to VESTA☆50Updated 11 months ago
- A collection of scripts to interpret/organize VASP output files☆24Updated 9 years ago
- Solvation model for the plane wave DFT code VASP.☆167Updated 2 months ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆26Updated 6 years ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆175Updated last month
- ☆71Updated 7 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…☆57Updated 6 years ago
- 新生入学培训资料☆18Updated 3 years ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆71Updated 2 weeks ago
- scripts related to qe☆26Updated 3 years ago
- 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，…☆68Updated 4 years ago
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆89Updated 8 months ago
- A grain boundary generation code☆79Updated 2 years ago
- Effective Mass Calculator for Semiconductors☆110Updated 5 years ago
- A lite tool for monitoring convergence in VASP relaxation☆17Updated last year
- Occupation matrix control modification VASP☆52Updated 6 years ago