刘鹏飞的个人博客

刘鹏飞
访问数:235373
工作情况:中国科学院,其它院系,东莞散裂中子源
研究领域:化学科学->物理化学->材料物理化学
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[转载]Anharmonic Phonons

Anharmonic Phonons are Heating Up The importance of anharmonicity in the atomic vibrations of crystalline materials has long been known, but the quantities involved have been prohibitively expensive to calculate from first-principles. It is now becoming possible to accurately predict properti ...
2020-12-2 08:40

[转载]Refinement of The Magnetic Structure

Hi, I just outline the process how I would start a refinement of the magnetic structure - I will point you to: https://conference.sns.gov/event/22/page/5 where you can find the lecture notes for magnetic structure refinement. 1. Get the cif structure file from the ICSD and use cif to p ...
2019-5-27 11:28

Linux 常见操作

scontrol show job ID 查看任务详情
2019-4-19 08:50

[转载]Running thirdorder with Quantum ESPRESSO

The invocation of thirdorder_espresso.py requires two files: 1) an input file of the unit cell with converged structural parameters. CONTROL calculation='scf', prefix='gaas', restart_mode='from_scratch', tstress=.tr ...
2019-4-1 08:46

Fortran

fortan -g -fbacktrace -Wall -fcheck=all -o 1.x 1.f90
2019-3-31 17:31

Topological Materials

https://www.nature.com/articles/s41586-019-0937-5 https://www.nature.com/articles/s41586-019-0944-6 https://www.nature.com/articles/s41586-019-0954-4
2019-2-28 09:24
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VASP
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