GitHub topics: point-defects
kumagai-group/pydefect
Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
Language: Python - Size: 24.3 MB - Last synced at: 5 days ago - Pushed at: 5 days ago - Stars: 58 - Forks: 22
EvanPayne22/Charge-Defect-Analysis
Generating charge defect plots with energy correction included.
Language: Python - Size: 427 KB - Last synced at: 6 days ago - Pushed at: 6 days ago - Stars: 2 - Forks: 1
SMTG-Bham/doped
doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-friendly yet powerful and fully-customisable manner.
Language: Python - Size: 802 MB - Last synced at: 10 days ago - Pushed at: 10 days ago - Stars: 182 - Forks: 33
SMTG-Bham/ShakeNBreak
Defect structure-searching employing chemically-guided bond distortions
Language: Python - Size: 98.9 MB - Last synced at: 8 days ago - Pushed at: 15 days ago - Stars: 92 - Forks: 20
MehranMotamedi/Predicting-Point-Defects-in-Silicon-using-LSTM-Neural-Networks
Predicting Point Defects in Silicon using LSTM Neural Networks: A Comparative Analysis of Actual and Predicted Intensity Values
Language: Python - Size: 43 KB - Last synced at: about 2 years ago - Pushed at: about 2 years ago - Stars: 0 - Forks: 0
