sozykinsa / GUI4dftLinks
GUI4dft - first free SIESTA oriented GUI
☆26Updated last month
Alternatives and similar repositories for GUI4dft
Users that are interested in GUI4dft are comparing it to the libraries listed below
Sorting:
- ☆36Updated 5 years ago
- quick analysis of vasp calculation☆36Updated last year
- Occupation matrix control modification VASP☆49Updated 5 years ago
- DFT post processing tools☆25Updated last year
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated last year
- Ab initio tight binding simuation package☆29Updated last month
- Amateurish molecular electronic structure program.(for linux)☆23Updated 8 years ago
- Site-Occupation Disorder☆42Updated 3 months ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆29Updated 8 months ago
- ☆23Updated last year
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆26Updated 6 years ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 5 years ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆80Updated 2 months ago
- Modeling and Crystallographic Utilities☆50Updated 2 years ago
- A module for ASE for elastic constants calculation.☆46Updated 6 months ago
- Python package to analyse electron density & electrostatic potential grids☆87Updated last year
- A code for generating irreducible site-occupancy configurations☆49Updated last year
- Examples of using the Atomic Simulation Environment☆35Updated 9 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆27Updated 9 years ago
- Band structure unfolding made easy!☆53Updated 3 weeks ago
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆54Updated last week
- Band unfolding for phonons☆55Updated 9 months ago
- TDEP Tutorials☆32Updated 2 months ago
- A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures☆44Updated last month
- A toolbox for quickly build inputs and analyze results of DFT codes☆43Updated last year
- Basic programs for generating Slater-Koster files for the DFTB-method☆26Updated 5 months ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆70Updated 2 months ago
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆38Updated 10 months ago
- ☆67Updated 2 years ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆64Updated last year