刘鹏飞的个人博客

刘鹏飞
访问数:116979
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]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

[转载]自然指数Nature Index选取的物理、工程、化学以及综合性类期刊

综合性期刊--5个 Nature ( IF=41.577 ) ( Nature ) Science ( IF= 41.058 ) ( Science ) Nature Communications ( IF= 12.353 ) ( Nat. Commun. ) Science Advances ( IF= 11.511 ) ( Sci. Adv. ) Proceedings of the National Academy of Sciences of the Unit ...
2018-11-12 12:22

学术上的主要出版社和杂志

1. 美国化学会(ACS)出版社网络出版平台 : ACS Appl. Mater. Interfaces , ACS Appl. Energy Mater. , ACS Appl. Nano Mater. , ACS Appl.Electron. Mater. , ACS Energy Lett. , ACS Nano , ACS Omega , Chem. Rev. ...
2018-11-10 22:27

[转载]Unit Conversion

You can refer to the website: http://staff.ustc.edu.cn/~zyli/units.html Unit Conversion Energy Units Hartree (2Ry) eV cm -1 kcal/mol kJ/mol Kelvin J Hz Hartree 1 27.2107 219 474.63 627.503 2 625.5 3 ...
2018-7-11 09:30

Crystal Structure Prediction Software

AIRSS , Ab initio Random Structure Searching (AIRSS) is a very simple, yet powerful and highly parallel, approach to structure prediction. The approach naturally extends to the prediction clusters/molecules, defects in solids, interfaces and surfaces (interfaces with vacuum). The AIRSS p ...
2018-4-28 08:57
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VASP
XCrySDen
Fermi-Surface
Quantum-ESPRESSO
Phonopy&Phono3py
Wannier90
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Superconductors
Topological
Phonons
Electrons
Thermoelectric
Latex
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