文献上一句话,用的软件是vasp: The structural relaxations were carried out until the force on each atom was less than 0.03 ev/埃 and the change of total energy per cell is smaller than 10-4 eV. 不明白得地方在这个total energy per cell 是指什么?文中他建的是6x6的超晶包,那这个是10-4X36还是就是10-4 eV?
谢谢解答!