northword / wiki
《能源环境材料计算模拟方法》学习笔记，包括linux基础命令、pbs作业管理系统、vasp、materials studio等。
☆22Updated last month
Related projects: ⓘ
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆25Updated 4 years ago
- ☆48Updated last year
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆15Updated last year
- Radial Distribution Function(rdf) 镜像分布函数计算☆15Updated 3 years ago
- Tutorials for Quantum Espresso☆15Updated 2 years ago
- DFT post processing tools☆23Updated last month
- ☆20Updated 4 years ago
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆26Updated 8 years ago
- Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆16Updated 4 years ago
- ☆24Updated last year
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆24Updated 8 years ago
- ☆24Updated last year
- Band unfolding for phonons☆48Updated 2 years ago
- Config files for my GitHub profile.☆24Updated last year
- some toolkits for VASP☆25Updated 3 years ago
- ☆11Updated 6 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆21Updated 2 years ago
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆30Updated last month
- quick analysis of vasp calculation☆34Updated 3 months ago
- ☆18Updated 3 years ago
- vasp calculation flow☆19Updated 11 months ago
- Unfolding the band structure of a supercell obtained with VASP☆24Updated last year
- KPROJ: A Band Unfolding Program☆32Updated 2 months ago
- A open source program for materials simulation data process, which is mainly based on Pymatgen code☆21Updated 4 years ago
- Some useful vasp scripts and tools☆21Updated 4 years ago
- Construct phonon tight-binding model and calculate its topological properties☆24Updated 5 years ago
- POST code for second order elastic constant☆38Updated 4 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- Tutorials for the sisl-TBtrans-TranSiesta suite☆33Updated 3 weeks ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆59Updated 3 weeks ago