Automated post-processing and visualization tools for VASP electronic structure calculations, generating customizable, publication-ready DOS and Band Structure figures from VASPkit outputs in high-resolution PNG and vector PDF formats.
A compressive-shear biaxial stress field model for analyzing the anisotropic mechanical behavior of crystal (Developed based on Python).
Some of my python and shell scripts used during my PhD, for atomistic scale simulations using Density Functional Theory.
Local FastAPI workbench for preparing, reviewing, and launching VASP materials-science workflows.
Calculate determined track direction of s, p or d (include atoms without spin ) band centers from VASP DOSCAR files using python 3.Bug fixed of d-band-center.py ref '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/hitarth64/d-band-center'
⚡ WF · 功函数绘图工作台 — 一键把 VASP 功函数计算输出变成可发表级平面平均势曲线（PySide6 GUI，Φ = V_vac − E_F）
Friendly Plot Phonon with Phonopy
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