tamaswells / VASPKIT_manualLinks
VASPKIT_manual markdown source!
☆80Updated 6 years ago
Alternatives and similar repositories for VASPKIT_manual
Users that are interested in VASPKIT_manual are comparing it to the libraries listed below
Sorting:
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆62Updated 6 years ago
- Fix lattice component(s) during relaxation in VASP☆130Updated 3 weeks ago
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆89Updated 8 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Updated 6 years ago
- Some scripting tools used for lammps input or output☆62Updated 7 months ago
- ☆60Updated last year
- ab-initio nonadiabatic molecular dynamics program☆116Updated 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,…☆68Updated 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
- Occupation matrix control modification VASP☆53Updated 6 years ago
- band plot using python matplotlib☆177Updated last year
- 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
- 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
- ☆41Updated last year
- Useful scripts for VASP☆195Updated 3 years ago
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆37Updated 9 years ago
- LAMMPS interface for phonon calculations using phonopy☆91Updated last month
- ☆127Updated 6 years ago
- A collection of scripts to interpret/organize VASP output files☆24Updated 9 years ago
- Phonon anharmonicity analysis from molecular dynamics☆134Updated 2 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆55Updated last month
- Export Eigenvectors from Phonopy format to VESTA☆50Updated 11 months ago
- 新生入学培训资料☆18Updated 3 years ago
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆28Updated 2 years ago
- ☆23Updated 5 years ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆44Updated 2 years ago
- An updated version of the VASP2WANNIER90v2 interface☆105Updated 2 years ago
- quick analysis of vasp calculation☆38Updated last year
- Effective Mass Calculator for Semiconductors☆110Updated 5 years ago