Dear All
I am doing SCF calculation of ZnSe it has 16 atom and simple cubic structure. I have calculated total energy using Monkhorst pack scheme of k point generation with shift. I got 176 k points while using the kpoint.x utility i found it generates only 120 k points for simple cubic structure. did i make any mistake? or the kpoint.x utility is different from monkhorst method. Thanks -- -- Mayank ?BARC MUMBAI, INDIA
