BigBroSci-LVTHW / LVTHWLinks
☆57Updated 10 months ago
Alternatives and similar repositories for LVTHW
Users that are interested in LVTHW are comparing it to the libraries listed below
Sorting:
- VASPKIT_manual markdown source!☆80Updated 6 years ago
- ☆124Updated 6 years ago
- Fix lattice component(s) during relaxation in VASP☆125Updated 3 years ago
- ab-initio nonadiabatic molecular dynamics program☆115Updated 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,…☆67Updated 4 years ago
- 新生入学培训资料☆18Updated 3 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆62Updated 6 years ago
- Some scripting tools used for lammps input or output☆62Updated 5 months 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
- 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
- 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☆77Updated 5 years ago
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆88Updated 6 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☆26Updated 6 years ago
- scripts related to qe☆25Updated 3 years ago
- Effective Mass Calculator for Semiconductors☆110Updated 5 years ago
- band plot using python matplotlib☆176Updated last year
- ☆23Updated 4 years ago
- ☆16Updated 5 years ago
- Useful scripts for VASP☆194Updated 3 years ago
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆36Updated 3 years ago
- Ab initio tight binding simuation package☆33Updated 3 months ago
- An updated version of the VASP2WANNIER90v2 interface☆101Updated 2 years ago
- Occupation matrix control modification VASP☆50Updated 6 years ago
- KPROJ: A Band Unfolding Program☆47Updated 8 months ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆28Updated 4 years ago
- ☆41Updated last year
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆73Updated 2 months ago
- some toolkits for VASP☆32Updated 4 years ago
- DFT post processing tools☆26Updated last year