仓库
TA 关注的仓库 (6)
jigroupruc/PlusU
Calculating U (on-site energy) using linear response method by calling DFT package QE.
最近更新: 2年多前jigroupruc/aBEST
A package for caculating displacement threshold energy (Td) under electron beam by calling DFT package VASP.
最近更新: 2年多前jigroupruc/RESEM
ReSEM (Renmin Scripts for Easy Modeling) 是一个脚本包，主要用于更加便捷地为VASP软件包准备输入文件和处理分析输出结果。
最近更新: 2年多前
jigroupruc/ReMoC
Python
人大迁移率计算软件包(ReMoC)是基于第一性原理计算软件包``Vienna ab-initio Simulation Package (VASP)的输出结果，计算半导体载流子迁移率的软件包。Renmin Mobility Calculator (ReMoC) is a computer code for carrier mobility calculations of semiconductors based on outputs from computer package ``Vienna ab-initio Simulation Package (VASP).
最近更新: 4年多前