Lang Liu

4 Questions 1 Answers 0 Followers

Questions related from Lang Liu

How to visualize output files of Quantum Espresso?

I am a starter of Quantum Espresso. I want to visualize the output files from Quantum Espresso. Primarily, I want to see atom configurations and trajectories from .xyz files and .path files....

21 June 2020 8,920 1 View

Why doesn't Lammps include fix orient/hcp?

I want to adopt synthetic driving force method on hcp metals, however, Lammps contains fix orient/fcc, fix orient/bcc only. It doens't have that for hcp. What's the problem for coding an hcp...

11 June 2020 1,238 0 View

Why doesn't my iron crystal format an isosceles triangular twining boundary?

I have simulated iron crystal (BCC) in Lammps using many different potential files in order to make an isosceles TB. I modeled the TB by rigorously calculated the offset distances of the two...

03 September 2019 9,501 1 View

Is it really reasonable to set Poisson’s ratio as a constant?

Over a handful of relative studies about functionally graded materials, almost every people set Poisson’s ratio as a constant while setting Young’s modulus or other mechanical properties as...

06 January 2019 2,278 3 View