各位,大家好:
有个问题请教下。
我在用Dmol3算完PDOS之后,在Analysis中查看结果时,有个参数的意义不太清楚,查看了Help也不是很理解。
Help中给出:
“Scissors: Specify the scissors operator to be used in plotting the density of states. The scissors operator is only applied for insulating systems, which have a clear separation between valence band and conduction band states. It is ignored for metallic systems.”
意思就是说Scissors就是作图时涉及的一个参数?那么它的取值应该咋取呢?