Ionizing / rsgrad
A VASP calculation monitor. Written in Rust
☆21Updated this week
Related projects ⓘ
Alternatives and complementary repositories for rsgrad
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆30Updated 2 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆29Updated 7 months ago
- ☆24Updated last year
- Visualize vibrational modes from VASP calculations☆37Updated 2 years ago
- ☆18Updated 5 years ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆47Updated 3 weeks ago
- ☆22Updated 2 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆48Updated 7 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- ☆31Updated 7 months ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆16Updated 5 years ago
- quick analysis of vasp calculation☆35Updated 5 months ago
- ASE interface for fully constant potential with VASP☆27Updated last month
- Tools for Phono(3)py power users.☆30Updated last year
- ☆39Updated 6 years ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆18Updated last year
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆21Updated 6 months ago
- ☆46Updated 2 years ago
- The Temperature Dependent Effective Potentials (TDEP) code☆65Updated this week
- Ferroelectric/Ferroelastic domain wall builder☆16Updated last month
- Allen-Feldman thermal conductivity compatible to GULP implementation☆17Updated last month
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆37Updated 6 months ago
- A python class for parsing VASP XDATCAR from molecular dynamics☆24Updated 2 months ago
- Automatic search for the most stable magnetic state of a given structure☆20Updated last year
- Dealing with slabs for first principles calculations of surfaces☆55Updated last year
- A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.☆23Updated 2 months ago
- Interfacial Phonon code☆25Updated 2 years ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆46Updated 3 months ago
- VASP WAVECAR parser (Plotting pseudo wavefunction and get wavecar brief info)☆17Updated 2 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆51Updated 2 years ago