zishengz / echoLinks
Electro-Chemical Optimizer
☆12Updated 7 months ago
Alternatives and similar repositories for echo
Users that are interested in echo are comparing it to the libraries listed below
Sorting:
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Updated 10 months ago
- Quick tools for materials chemistry☆19Updated last year
- Projected Electronic Bands in Quantum Espresso☆14Updated last month
- ☆19Updated 7 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆20Updated last year
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 2 years ago
- Generate isosurface from density data☆14Updated 6 months ago
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Updated 2 years ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆22Updated 7 months ago
- SLABCC: Total energy correction code for charged periodic slab models. Project is currently maintained at https://codeberg.org/meisam/sla…☆17Updated 10 months ago
- BiCrystal is a Python 3 program that builds incommensurate unit cells of bilayer materials.☆13Updated 2 years ago
- Python library for computing electron-phonon renormalizations from finite displacements☆11Updated 10 months ago
- extract third order force constants from TDEP output☆10Updated 5 years ago
- Restructure single parabolic band(RSPB) model used for thermoelectricity☆10Updated 4 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）☆13Updated 4 years ago
- STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric d…☆15Updated 5 years ago
- The thermal conductivity of a molecular dynamics system is calculated using the Green-Kubo fluctuation Dissipation Theorem☆14Updated 4 years ago
- Automation of VASP DFT workflows with ASE - application scripts☆13Updated 2 years ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Updated last year
- cif2cell compatible with Python 3+☆12Updated 3 years ago
- Python program for analyzing the output files of phonopy.☆14Updated 4 years ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆18Updated 4 months ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆29Updated 5 months ago
- Visualizations☆14Updated 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…☆14Updated 4 months ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Updated 3 years ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆19Updated 3 months ago
- ☆21Updated 11 months ago
- Calculate 3rd order elastic constant.☆13Updated 8 months ago
- Crsytal simulation tools☆10Updated 2 weeks ago