Concept of Primitive cell &How to Choose High Symmetry points?Fe (A case study)

BCC Lattice of Fe
Concept of Primitive cell
High symmetry points in Brillouin Zone
xv2xsf conversion
K-path selection using XCRYSDEN

[@sujatayadavquan8257]

Good evening Sir, Sir how to optimize lattice parameter for hexagaonal strucure 4.1313 4.1313 28.6220 90.000 90.000 120.000 and for orthorhombic structure11.706000 4.141700 11.608200 90.000 90.000 90.000

[@niloy6967]

Sir, it would be very helpful if you can provide the format af the input file after the system descriptioin and the structural, geometrical variable.

[@arunphy]

For this you can follow other tutorials in the same playlist