刘鹏飞的个人博客分享 http://blog.sciencenet.cn/u/pfliu89


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    • 化学科学->物理化学->材料物理化学

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zhpd55 2018-3-14 23:16
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Research Fields
Research Focus:
1. Structure Prediction; 2. Thermoelectrics; 3. High Pressure; 4. Topological; 5. Superconductivity; 6. Phonons.
[转载]Unit Conversion 2018-07-11
You can refer to the website:  http://staff.ustc.edu.cn/~zyli/units.html Unit Conversion Energy Units       ...
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Crystal Structure Prediction Software 2018-04-28
AIRSS , Ab initio Random Structure Searching (AIRSS) is a very simple, yet powerful and highly parallel, approach to structure prediction. ...
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Quantum-ESPRESSO计算注意事项! 2018-04-04
1. rel赝势下的声子谱计算产生矩阵文件*.dyn1.xml PH目录下phq_readin.f90 中的IF (noncolin) xmldyn=.TRUE. 注释掉,重新编译! 2. 优化结构固定 ...
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[转载]LaTex特殊符号对应表 2018-03-15
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[转载]Ueff data for LDA(GGA)+U 2018-02-05
https://www5.hp-ez.com/hp/calculations/page190 ******************** S. Satpathy, Phys. Rev. Lett. 76 (1996) 960-963. Parameters of the elect ...
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Calculating Effective Mass for Semiconductors 2018-02-04
1. EMC Effective mass calculator ( EMC ) implements calculation of the effective masses at the bands extrema using finite d ...
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[转载]The GUIs of Quantum ESPRESSO 2018-01-29
BURAI : It is a GUI system for Quantum ESPRESSO. You can download and use it freely. This system is developed as JavaFX application by Satom ...
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