Edward Danquah Donkor

2 Questions 5 Answers 0 Followers

Questions related from Edward Danquah Donkor

Can anyone help me with starting magnetization values for Mn C co-doped ZnO?

I am doing ferromagnetic calculations on Mn And C co-doped ZnO using quantum espresso and I want an idea about the values of starting magnetization to use. I used 0.5 and -0.4 for Zn and Mn...

22 April 2018 5,475 5 View

I ran a VC-relax calculation on Zinc Oxide doped Super cell. How do I obtain the final lattice parameters of the relaxed structure?

After the vc-relax calculation I am able to get the atomic positions of the relaxed structure in the output file but I cannot find the lattice parameters of the relaxed structure. I am using...

23 March 2018 8,390 4 View