zishengz / echo
Electro-Chemical Optimizer
☆10Updated 2 weeks ago
Alternatives and similar repositories for echo:
Users that are interested in echo are comparing it to the libraries listed below
- Quick tools for materials chemistry☆17Updated 10 months ago
- ☆18Updated 6 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆18Updated 6 months ago
- BiCrystal is a Python 3 program that builds incommensurate unit cells of bilayer materials.☆13Updated last year
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆20Updated last year
- Projected Electronic Bands in Quantum Espresso☆14Updated last year
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆16Updated 2 months ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 2 years ago
- cif2cell compatible with Python 3+☆11Updated 2 years ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆19Updated 2 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆13Updated last week
- Scripts to extract various properties from VASP OUTCAR file☆11Updated last year
- Visualizations☆13Updated 3 years ago
- ☆20Updated last year
- The thermal conductivity of a molecular dynamics system is calculated using the Green-Kubo fluctuation Dissipation Theorem☆14Updated 4 years ago
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Updated last year
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 3 years ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆18Updated 2 months ago
- Automation of VASP DFT workflows with ASE - application scripts☆12Updated last year
- SLABCC: Total energy correction code for charged periodic slab models. Project is currently maintained at https://codeberg.org/meisam/sla…☆16Updated 2 months ago
- 高通量建立vasp模型和批量分析模型性质(High throughput VASP model and batch analysis model properties)☆12Updated 3 years ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆12Updated 3 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated last year
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Updated last year
- Crsytal simulation tools☆10Updated 2 weeks ago
- ☆19Updated 3 months ago
- Vizualisation of Atomic Contributions to Phonon Modes☆10Updated 5 months ago
- ☆16Updated 3 years ago