haidi-ustc / maptoolsLinks
A open source program for materials simulation data process, which is mainly based on Pymatgen code
☆22Updated 5 years ago
Alternatives and similar repositories for maptools
Users that are interested in maptools are comparing it to the libraries listed below
Sorting:
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated last year
- ☆19Updated 6 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆29Updated 6 months ago
- ☆21Updated 5 years ago
- ☆24Updated 3 weeks ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆25Updated 5 years ago
- KPROJ: A Band Unfolding Program☆44Updated 3 months ago
- Automatic search for the most stable magnetic state of a given structure☆22Updated last year
- Visualize vibrational modes from VASP calculations☆41Updated 4 months 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
- Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.☆24Updated 7 years ago
- quick analysis of vasp calculation☆35Updated 11 months ago
- Some useful vasp scripts and tools☆22Updated 5 years ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated 2 months ago
- ☆41Updated 6 years ago
- DENSITY FUNCTIONAL THEORY EXERCISES. 本习题解答针对 DAVID S. SHOLL 的 Density functional theory: a practical introduction[1]一书。理论依据为密度泛函(DFT)理论，…☆59Updated 3 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆23Updated 4 years ago
- Tools for Phono(3)py power users.☆33Updated last year
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆30Updated last month
- ☆14Updated 5 years ago
- DFT post processing tools☆24Updated 10 months ago
- Export Eigenvectors from Phonopy format to VESTA☆43Updated 5 months ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆21Updated 3 years ago
- A python class for parsing VASP XDATCAR from molecular dynamics☆24Updated 8 months ago
- Occupation matrix control modification VASP☆48Updated 5 years ago
- A code to compute the radial distribution function☆20Updated 6 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 9 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 2 years ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆34Updated 3 weeks ago