Codes:

Code 1: A python code to compute ideal strain-stress of materials.Download Count is above 1000 up to now.

http://sourceforge.net/projects/ideal-strength-vasp/?source=navbar

or http://code.google.com/p/ideal-strength-vasp/downloads/list

 

Research Highlights:

 

5, Xue Yong, Hanyu Liu* (co-first), Min Wu, Yansun Yao, John S. Tse*, Ranga Dia, and Choong-Shik Yoo*, "Crystal Structures and Dynamical Properties of Dense CO2", Proc Natl Acad Sci USA 113, 11110-11115 (2016)

4, Yinwei Li*, Jian Hao, Hanyu Liu, Siyu Lu, John S. Tse, "High energy density and superhard nitrogen-rich B-N compounds" Phys. Rev. Lett., 115, 105502(2015)

3, Miao Zhang, Hanyu Liu, Quan Li*, Bo Gao, Yanchao Wang, Hongdong Li, Changfeng Chen* and Yanming Ma*, ”°Superhard BC3 in cubic diamond structure”± Phys. Rev. Lett., 114, 015502 (2015)

2, Miao Zhang, Mingchun Lu, Yonghui Du, Lili Gao, Cheng Lu and Hanyu Liu*, ”°Hardness of FeB4: Density Functional Theory Investigation”± J. Chem. Phys., 140, 174505 (2014)

1, Quan Li, Hanyu Liu, Dan Zhou, Weitao Zheng, Zhijian Wu and Yanming Ma*, "A Novel Low Compressible and Superhard Carbon Nitride: Body-centered Tetragonal CN2", Phys. Chem. Chem. Phys. 14, 13081 (2012)

Code 2: A python code can plot a fantastic electronic band structure.