Browsing School of Materials Engineering (Articles) by Author "Morteza, Jamal"
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Calculation of the lattice constant of hexagonal compounds with two dimensional search of equation of state and with semilocal functionals a new package (2D-optimize)
Ali Hussain, Reshak, Prof. Dr.; Morteza, Jamal (Elsevier B.V., 2013-04-05)A new package for calculating lattice constants and equation of state for hexagonal and tetragonal structure is released. We call it as 2D-optimize. The new package is compatible with the highly accurate all-electron ... -
DFT calculation for elastic constants of orthorhombic structure within WIEN2K code: A new package (ortho-elastic)
Ali Hussain, Reshak, Prof. Dr.; Morteza, Jamal (Elsevier B.V., 2012-12)A new package for calculating the elastic constants of orthorhombic structure is released. The package called ortho-elastic. The formalism of calculating the ortho-elastic constants is described in details. The package is ...