yyyu200 / SlabMaker
Build slab models for crystal surfaces.
☆19Updated 4 years ago
Alternatives and similar repositories for SlabMaker:
Users that are interested in SlabMaker are comparing it to the libraries listed below
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆25Updated 5 years ago
- A open source program for materials simulation data process, which is mainly based on Pymatgen code☆22Updated 5 years ago
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆25Updated 5 years ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆17Updated 4 years ago
- An introduction to DFT.☆13Updated 8 months ago
- A python class for parsing VASP XDATCAR from molecular dynamics☆24Updated 4 months ago
- quick analysis of vasp calculation☆35Updated 7 months ago
- Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.☆23Updated 7 years ago
- A code to compute the radial distribution function☆21Updated 5 years ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆21Updated last year
- Interfacial Phonon code☆25Updated 2 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- Scripts to extract various properties from VASP OUTCAR file☆11Updated last year
- Structure Prototype Analysis Package can analyze symmetry and compare similarity of a large number of atomic structures.☆23Updated 2 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆19Updated 5 years ago
- TDEP Tutorials☆24Updated last month
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆24Updated 2 months ago
- ☆20Updated 4 years ago
- Installation steps for various programs like VASP, LAMMPS, Quantum Espresso, Siesta in parallel☆14Updated 4 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 3 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- Automatic search for the most stable magnetic state of a given structure☆21Updated last year
- Unfolding the band structure of a supercell obtained with VASP☆24Updated 2 years ago
- DFT post processing tools☆23Updated 6 months ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆16Updated 2 years ago
- ☆11Updated 7 years ago
- cif2cell compatible with Python 3+☆11Updated 2 years ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆28Updated last year
- Radial Distribution Function(rdf) 镜像分布函数计算☆15Updated 4 years ago
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆15Updated 6 years ago