The Cohesive Energy Calculations of Some BCC (Li, Cr, Fe, Mo) Lattices Using Density Functional Theory
E. A. Joseph & M. F. Haque · Asian Journal of Physical and Chemical Sciences · 2017
The cohesive energies of lithium (Li), chromium (Cr), iron (Fe) and molybdenum (Mo) were computed using density functional theory (DFT). DFT based Fritz Haber Institute-ab initio molecular simulation (FHI-aims) computer code has several input parameters in which some of the varia...
Open access
Research Article
10.9734/AJOPACS/2016/30695