Salam. Sir can we optimize a structure from full hybrid potentials??? Please show us the modifications in .optimize.job.... thanks
Aoa sir Sir ya "splitting of equivalent poition not availble please select lattice type" Sir iska kia mean Ap plz isy bta dain issy mery compond py calculation ni hn re c/a result ajata but jb ma min value ly k volume otimaziation krty uska result ni ata straight line ajaty plz isky bary my btyw
salamo3laykom, you can do a methodology to study surfaces properties using first principles (creation a slab; optimization, and study other prperties . thanks
@ashishyadav-nx6ek