Chengcheng-Xiao / ToolsLinks
DFT post processing tools
☆24Updated 11 months ago
Alternatives and similar repositories for Tools
Users that are interested in Tools are comparing it to the libraries listed below
Sorting:
- quick analysis of vasp calculation☆36Updated last year
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆25Updated 4 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated last year
- Occupation matrix control modification VASP☆49Updated 5 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆26Updated 5 years ago
- some toolkits for VASP☆30Updated 4 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 2 years ago
- KPROJ: A Band Unfolding Program☆45Updated 5 months ago
- Export Eigenvectors from Phonopy format to VESTA☆43Updated 6 months ago
- Tools for Phono(3)py power users.☆33Updated last year
- TDEP Tutorials☆30Updated last month
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆29Updated 8 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated last year
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆29Updated 3 months ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆27Updated 7 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆43Updated last year
- Interfacial Phonon code☆27Updated 2 years ago
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆34Updated 3 years ago
- python workflow for GW-BSE calculation☆28Updated 2 years ago
- Visualize vibrational modes from VASP calculations☆41Updated 5 months ago
- Automatic search for the most stable magnetic state of a given structure☆24Updated last year
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆40Updated 10 months ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆70Updated 10 months ago
- ☆19Updated 6 years ago
- ☆14Updated 5 years ago
- Some useful vasp scripts and tools☆22Updated 5 years ago
- ☆19Updated 6 months ago
- Code to convert DFPT modes in OUTCAR files to VESTA images☆25Updated 2 years ago