yyyu200 / DFTbookLinks
An introduction to DFT.
☆14Updated last year
Alternatives and similar repositories for DFTbook
Users that are interested in DFTbook are comparing it to the libraries listed below
Sorting:
- vasp calculation flow☆22Updated 2 years ago
- quick analysis of vasp calculation☆37Updated last year
- A code to compute the radial distribution function☆21Updated 6 years ago
- A open source program for materials simulation data process, which is mainly based on Pymatgen code☆22Updated 5 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆55Updated last year
- ☆24Updated 2 weeks ago
- python workflow for GW-BSE calculation☆30Updated 2 years ago
- ☆36Updated 5 years ago
- Occupation matrix control modification VASP☆50Updated 6 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆31Updated 10 months ago
- ☆39Updated last year
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆39Updated 11 months ago
- DFT post processing tools☆26Updated last year
- ☆16Updated 5 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆25Updated 5 years ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆17Updated 2 years ago
- some toolkits for VASP☆31Updated 4 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆26Updated 5 years ago
- Utility for applying the distortion symmetry method.☆28Updated last year
- KPROJ: A Band Unfolding Program☆46Updated 7 months ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆34Updated 2 years ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆66Updated last month
- A collection of examples for running different types of VASP calculations.☆31Updated 8 years ago
- Band unfolding for phonons☆57Updated 11 months ago
- potfit force-matching code☆41Updated last year
- Ab initio tight binding simuation package☆31Updated 2 months ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆20Updated 5 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- Modeling and Crystallographic Utilities☆50Updated 2 years ago