Skip to main content
Vladislav Gladkikh's user avatar
Vladislav Gladkikh's user avatar
Vladislav Gladkikh's user avatar
Vladislav Gladkikh
  • Member for 3 years, 11 months
  • Last seen this week
9 votes
1 answer
220 views

Can energies obtained with different pseudopotentials be compared?

9 votes
1 answer
178 views

How to stack graphene and hBN on top of each other?

7 votes
1 answer
197 views

What is the best cell shape to calculate the energy of a free atom with a periodic DFT code (VASP)?

7 votes
1 answer
113 views

Is there a system of multiple interacting quantum particles for which the density can be obtained analytically?

7 votes
2 answers
191 views

How to add atom attribute molecule for each layer in LAMMPS?

5 votes
1 answer
124 views

Can a material be a conductor in one direction and a semiconductor in another direction?

5 votes
1 answer
225 views

VASPKIT and SeeK-path recommend different paths. Which one to choose?

5 votes
1 answer
220 views

How to get rotation matrix elements from root integer notation?

4 votes
1 answer
196 views

How to do molecular dynamics with different isotopes of the same element?

4 votes
1 answer
262 views

How to calculate the Eliashberg spectral function in VASP?

4 votes
0 answers
267 views

Why VESTA displays much more atoms beyond the cell boundaries?

4 votes
1 answer
191 views

How to query 2D materials on materials project?

2 votes
0 answers
32 views

How to estimate the minimal distance between atoms for which a pseudopotential-based AIMD gets forces correctly?

2 votes
0 answers
16 views

How to rotate a periodic structure in LAMMPS?