Majeed Ur Rehman

5 Questions 5 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...

05 June 2018 10,195 3 View

How to set MAGMOM tag in INCAR file for a Ferromagnetic system with magnetic moments are aligned in-plane of the system ?

Hi all, Normally to do spin polarized calculation we use ISPIN=2 and set all magnetic moments along the z-direction (out of plane) in the MAGMOM tag. But what if all the magnetic moments are...

09 April 2018 8,026 0 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...

23 December 2017 2,614 3 View

How can i set the INCAAR file for the spin and magnetic calculations?

I am interested to find the band structure of a system having 68 atoms. What tags di I need to include in the INCAAR file for magnetic and spin calculations? Secondly, how can set the values of...

08 July 2017 1,183 3 View

How can i make a hetrostructure in materials studio? and what are the possible ways to reduce the lattice mismatch?

I want to make a hetrostucture in material studio for VASP calculations. But i am facing difficulty while doing this. Your suggestion and guideline would be highly appreciated.

02 July 2017 3,679 3 View