4 Questions 9 Answers 0 Followers
Questions related from Hui Zhang
Hello, I was wondering the best way to build an orthogonal box filled with a defined crystal structure in ASE. I know it could be easily done in LAMMPS, but I guess it is also doable in ASE. The...
22 February 2021 6,363 4 View
Hello folks, Are there any software or scripts that can help to build asymmetric tilt grain boundary for HCP? Many thanks. Regards, Hui
08 November 2017 3,229 0 View
Does anybody have an idea why the integrated DOS is nonzero when DOS is zero? The DOS and Integrated DOS are obtained from DOSCAR. Thx
31 January 2017 8,712 3 View
I want to calculate atomic strain using Ovito. I have the deformed and pristine crystal structure (both are fcc) and use the pristine one as the reference. But it fails to compute local...
12 October 2016 275 6 View
