Chengcheng-Xiao / Tools
DFT post processing tools
☆23Updated 6 months ago
Alternatives and similar repositories for Tools:
Users that are interested in Tools are comparing it to the libraries listed below
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- ☆18Updated 5 years ago
- quick analysis of vasp calculation☆35Updated 8 months ago
- some toolkits for VASP☆28Updated 3 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆31Updated 10 months ago
- Automatic search for the most stable magnetic state of a given structure☆21Updated last year
- Interfacial Phonon code☆25Updated 2 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆31Updated 2 years ago
- Tools for Phono(3)py power users.☆32Updated last year
- Some useful vasp scripts and tools☆22Updated 5 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆25Updated 5 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- python workflow for GW-BSE calculation☆25Updated last year
- Occupation matrix control modification VASP☆44Updated 5 years ago
- KPROJ: A Band Unfolding Program☆38Updated 2 weeks ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆27Updated last month
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆19Updated 5 years ago
- TDEP Tutorials☆24Updated 2 months ago
- ☆24Updated last month
- ☆19Updated 4 years ago
- Converts the VASP WAVECAR to UNK files for wannier90.☆22Updated 4 years ago
- create wavefunction file from selected spin, kpoint and band index in VASP wavecar☆14Updated 3 years ago
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆34Updated 3 years ago
- Export Eigenvectors from Phonopy format to VESTA☆38Updated last month
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆26Updated 2 months ago
- Builds 2D heterostructures via coincidence lattice theory.☆13Updated last year
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 3 years ago
- Construct phonon tight-binding model and calculate its topological properties☆24Updated 5 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆24Updated 3 months ago
- VASP WAVECAR parser (Plotting pseudo wavefunction and get wavecar brief info)☆17Updated 2 years ago