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ÔÚ¿´ÎÄÏ×ʱ£¬Óо仰£ºFirst we perform separate bulk calculations at the equilibrium volume V0 and a compressed volume V0 − V(Ö¸ºÜСµÄÒ»¸öÌå»ý±äÁ¿) to determine the variation of the individual band edges Ev and Ec with respect to a reference potential. As our reference potential we choose the average electro-
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