Plotting the Density of States (DOS) from Vienna Ab initio Simulation Package (VASP) calculations using the Atomic Simulation Environment (ASE) is a crucial task in computational materials science. This process involves extracting electronic structure data from VASP outputs and visualizing it to gain insights into material properties. The workflow typically includes running VASP calculations, processingContinue reading “Density of States (DOS) Calculation Workflow – Curated Using Perplexity AI”
Tag Archives: Python
Mayavi: Scientific Data Visualization Using Python
Mayavi notebook This notebook contains python code examples for visualization using mlab module of Mayavi. The code samples are derived from the SciPy workshop conducted by Prof. Prabhu Ramachandran — available online on YouTube Clearing the figure window Parametrize a helix To get mgrid coordinates with linspace-like syntax Using the mesh command used for irregularContinue reading “Mayavi: Scientific Data Visualization Using Python”
Theoretical & Computational Materials Science 