work-function

Here are 3 public repositories matching this topic...

israel-c-ribeiro / VASP_tools

Post-processing and sanity checks for VASP, written as tutorials: vacuum-referenced band alignment, LOCPOT profiles, run diagnostics, selective dynamics, whole-molecule slabs, hybrid-SCF rescue.

python tutorial dft vasp density-functional-theory computational-chemistry materials-science perovskites work-function band-alignment

Updated Oct 1, 2026
Python

bdeeps / photoelectricclear

Star

What is the photoelectric effect? An interactive, open-source explainer. Glassbox No. L32.

Updated Oct 3, 2026
JavaScript

moyulyy / plot_Workfunction

Star

⚡ 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）

python windows gui dft vasp matplotlib materials-science qt6 vaspkit pyside6 work-function

Updated Sep 22, 2026
Python

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