bigbrosci / q-robotLinks
☆24Updated 2 weeks ago
Alternatives and similar repositories for q-robot
Users that are interested in q-robot are comparing it to the libraries listed below
Sorting:
- some toolkits for VASP☆30Updated 4 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆25Updated 4 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆29Updated 8 months ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆26Updated 5 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated last year
- ☆36Updated 5 years ago
- ☆26Updated 6 months ago
- A VASP calculation monitor. Written in Rust☆29Updated 6 months ago
- quick analysis of vasp calculation☆36Updated last year
- Calculate 3rd order elastic constant.☆13Updated 3 months ago
- vasp calculation flow☆22Updated last year
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- ☆19Updated 6 years ago
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆37Updated 9 months ago
- Occupation matrix control modification VASP☆49Updated 5 years ago
- Site-Occupation Disorder☆41Updated 3 months ago
- ☆14Updated 5 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
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆32Updated 2 years ago
- python workflow for GW-BSE calculation☆28Updated 2 years ago
- A python class for parsing VASP XDATCAR from molecular dynamics☆24Updated 10 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated last year
- Automatic search for the most stable magnetic state of a given structure☆24Updated last year
- TDEP Tutorials☆30Updated last month
- DFT post processing tools☆24Updated 11 months ago
- Visualize vibrational modes from VASP calculations☆41Updated 5 months ago
- ☆30Updated last month
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 9 years ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆17Updated 2 years ago
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆16Updated 7 years ago