gVallverdu / myScriptsLinks
Script library mainly about chemical physics.
☆24Updated 6 months ago
Alternatives and similar repositories for myScripts
Users that are interested in myScripts are comparing it to the libraries listed below
Sorting:
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Updated 5 years ago
- Automatic search for the most stable magnetic state of a given structure☆25Updated 2 years ago
- Interfacial Phonon code☆28Updated 3 years ago
- Tools for Phono(3)py power users.☆34Updated 2 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 years ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 7 months ago
- A Python suite for manipulating VASP input and output☆48Updated last month
- Occupation matrix control modification VASP☆53Updated 6 years ago
- Visualize vibrational modes from VASP calculations☆45Updated 11 months ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆49Updated last month
- quick analysis of vasp calculation☆38Updated last year
- TDEP Tutorials☆34Updated 6 months ago
- Band structure unfolding made easy!☆58Updated last week
- ☆19Updated 6 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆28Updated last year
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆17Updated 7 years ago
- Dealing with slabs for first principles calculations of surfaces☆65Updated 2 years ago
- Site-Occupation Disorder☆47Updated 8 months ago
- DFT post processing tools☆26Updated last year
- ☆61Updated 3 years ago
- Blender extensions for illustrations of phonons☆67Updated 6 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆55Updated last month
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆38Updated last week
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆32Updated last week
- A collection of examples for running different types of VASP calculations.☆31Updated 9 years ago