elastic constant's
Posted: Mon Apr 05, 2010 5:24 pm
Dear all ,please
I want to calculate the elastic constant's for Cobalt(Co) which have two atom's per cell(S.Groupe : 194)
my question is :is it true to said: the calculated total energy and spin magnetic moment and elastic constant's as a function of volume per atom?
If yes i can devide the Cij by two?
I want to calculate the elastic constant's for Cobalt(Co) which have two atom's per cell(S.Groupe : 194)
my question is :is it true to said: the calculated total energy and spin magnetic moment and elastic constant's as a function of volume per atom?
If yes i can devide the Cij by two?