gVallverdu / myScripts
Script library mainly about chemical physics.
☆24Updated 2 months ago
Alternatives and similar repositories for myScripts:
Users that are interested in myScripts are comparing it to the libraries listed below
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 8 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆31Updated 9 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
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- Tools for Phono(3)py power users.☆31Updated last year
- DFT post processing tools☆23Updated 6 months ago
- Occupation matrix control modification VASP☆44Updated 5 years ago
- quick analysis of vasp calculation☆35Updated 7 months ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆19Updated 5 years ago
- Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.☆23Updated 7 years ago
- ☆18Updated 5 years ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆51Updated last month
- TDEP Tutorials☆24Updated last month
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆28Updated last year
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆26Updated 4 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆26Updated last month
- A collection of examples for running different types of VASP calculations.☆29Updated 8 years ago
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆31Updated this week
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆26Updated 3 weeks ago
- Export Eigenvectors from Phonopy format to VESTA☆37Updated last month
- Some useful vasp scripts and tools☆22Updated 5 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆51Updated 9 months ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆25Updated 9 years ago
- Python version ofthe BandUP code☆21Updated 3 months ago
- Band unfolding for phonons☆51Updated 3 months ago
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆19Updated 3 years ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆18Updated 3 weeks ago
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆15Updated 6 years ago