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[转载]Anharmonic Phonons
刘鹏飞 2020-12-2 08:40
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 ...
个人分类: Phonons|1264 次阅读|没有评论
[转载]Refinement of The Magnetic Structure
刘鹏飞 2019-5-27 11:28
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 ...
个人分类: magnetic|1698 次阅读|没有评论
Linux 常见操作
刘鹏飞 2019-4-19 08:50
scontrol show job ID 查看任务详情
个人分类: Linux|2043 次阅读|没有评论
[转载]Running thirdorder with Quantum ESPRESSO
刘鹏飞 2019-4-1 08:46
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 ...
个人分类: Phonons|2594 次阅读|没有评论
Fortran
刘鹏飞 2019-3-31 17:31
fortan -g -fbacktrace -Wall -fcheck=all -o 1.x 1.f90
个人分类: Programing|1957 次阅读|没有评论
Topological Materials
刘鹏飞 2019-2-28 09:24
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
个人分类: Topological|2156 次阅读|没有评论

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