sozykinsa / GUI4dft
GUI4dft - first free SIESTA oriented GUI
☆23Updated 2 weeks ago
Alternatives and similar repositories for GUI4dft:
Users that are interested in GUI4dft are comparing it to the libraries listed below
- ☆36Updated 5 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆24Updated 2 months ago
- quick analysis of vasp calculation☆35Updated 7 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 8 months ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆41Updated 3 weeks ago
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆33Updated 3 months ago
- A lightweight python package for reading and writing VASP ML_AB files☆34Updated last year
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆31Updated 8 months ago
- Visualize vibrational modes from VASP calculations☆37Updated 2 years ago
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆31Updated 3 years ago
- Tutorials showcasing various capabilities of Libra☆21Updated 5 months ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆28Updated last year
- Interatomic potential creating using DFT training data.☆28Updated 5 years ago
- Band structure unfolding made easy!☆45Updated this week
- A Python suite for manipulating VASP input and output☆44Updated 6 months ago
- Library for Bayesian error estimation functionals for use in density functional theory codes☆23Updated last year
- Occupation matrix control modification VASP☆44Updated 5 years ago
- Tools for Phono(3)py power users.☆31Updated last year
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆25Updated 5 years ago
- Site-Occupation Disorder☆38Updated last year
- VASP Convergence Testing (for Energy & Dielectric Constants)☆51Updated 9 months ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆76Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆52Updated 2 years ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆41Updated last year
- Basic programs for generating Slater-Koster files for the DFTB-method☆25Updated last week
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 4 years ago
- ☆63Updated last year
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆23Updated 8 months ago
- Dealing with slabs for first principles calculations of surfaces☆59Updated last year