Abderrahmane Reggad

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Questions related from Abderrahmane Reggad

How to do the structural optimization for orthorhombic structure within wien2k code?

If is there any package to do that as for 2D-optimize for hexagonal structure

04 April 2017 264 0 View

What's the relationship between the bond lenght and the cell parameters for NiAs structure

As it's known that the lattice parameter is the double of the bond lenght in the NaCl structure, I want to know how to calculate the bond lenght in the NiAs structure?

01 January 1970 7,844 2 View