Majeed Ur Rehman

5 Questions 2 Answers 0 Followers

Questions related from Majeed Ur Rehman

What is the solution to solve the error " Error EDDDAV: Call to ZHEGV failed. Returncode = 29 2 56" ?

Hi All, When i use the latest vasp version 5.3.5, i face the error "Error EDDDAV: Call to ZHEGV failed. Returncode = 29 2 56" at the start of the run and hence job finish automatically due to...

06 June 2018 5,328 0 View

What is the next step after getting the FORCE_CONSTANTS file in Phonon calculations to check dynamical stability of a structure?

Hi , I am interested to learn the phonon calculation in order to check the dynamical stability of a structure. For this i am using Phonopy. The procedure that i followed as: (i) First i generate a...

12 December 2017 4,078 5 View

What is the procedure to calculate Berry Curvature and Z2 topological number (or Chern Number) Using VASP?

Hi all, I am a fresh PhD Student with less computational background in VASP. Currently i am interested to learn about the procedure how can i find the Berry curvature and Z2 topological index...

12 December 2017 2,392 3 View

How can i identify the position of some atom in POSCAR using VESTA?

Hello, When i click at some atom in the VESTA, the Cartesian coordinates of that atom is appeared in the bottom. But when i check the POSCAR file (in text format) i dont trace these coordinates....

10 October 2017 2,138 0 View

How can i make Bilayer Bismuth (111) structure in material studio?

I am interested in layer materials of group V. how can i design bilayer Bismuth (111) structure in material studio? i am a beginner to use material studio.

06 June 2017 6,735 1 View