Lu Xiaoke

6 Questions 9 Answers 0 Followers

Questions related from Lu Xiaoke

How to draw 3(or 2)-dimension anisotropic figure of Yong's modulus ,shear modulus as well as Possion's ratio?

As the question mentioned, I want to draw 3D/2D anisotropic maps of Yong's modulus, shear modulus as well as Poisson's ratio for a cubic bulk crystal. just like as the following picture, could any...

28 July 2017 3,474 0 View

How to calculate the charge density difference ?

so far, there are two methods to calculate the charge density difference ,see following: 1. difference charge density: delta_RHO=RHO_sc - RHO_atom, where RHO_sc and RHO_atom charge density files...

05 May 2017 5,307 3 View

Ask help for a program of stress-strain?

Just as the tile, I want to simulate the stress-strain corralation for a 2D system, in order to improve work efficiency,but it is a pitty that I am not good at writting programs, So, here, I ask a...

19 April 2017 2,536 1 View

Phonon calculation for graphene under large defomation?

see attachment： the author adopted a rectangular cell (contains six carbon atoms) for stress- strian calculation along zigzag and armchair directions. However, a rhombic unit cell (contains...

05 April 2017 7,570 3 View

How can I impose the stress on the arbitrary direction of structure in vasp?

Dear all. Now, I want to impose the stress on the (111) direction of FCC structure. I tranform FCC into tetragonal structure, in which the direction of c axie is the right (111) direction of FCC...

14 December 2016 2,104 12 View

How to analysis the impurity states induced by doping atoms in perfect system standing on the perspective of eletrons occupying the orbitals?

The PDOS of related atoms were presented in Figure 2. where an obvious impurity state lacates at Fermi level. How can I give a reasonable explanation from the perspective of elecrons occupying...

06 December 2016 359 3 View