/dft-learning

《能源环境材料计算模拟方法》学习笔记,包括linux基础命令、pbs作业管理系统、vasp、materials studio等。

Primary LanguageVueMIT LicenseMIT

computation-simulation

本库是《能源环境材料计算模拟方法》课程学习与实践笔记,内容包括 Linux基础命令、PBS作业管理系统、VASP、Materials Studio 等。

笔记内容以Markdown书写,HTMLVuePress创建,托管在GitHub Pages上。同时本库由Gitee 同步。

阅读请访问:


This repository is the notes of course study and practice of "Energy Environment Material Calculation and Simulation Method", which includes Linux basic commands, PBS job management system, VASPKIT, Materials Studio, etc.

To read, please visit GitHub Pages .


You are welcome to contribute examples of how to run calculations.

Bug/typo/error reports should be sent to: Zhang' e-mail or reported as an issue.