尤其是PDOS ，投影态密度Projected Density of States和分波态密度partial density of states 都是PDOS...
而笼统的p轨道,可以认为是Local density of states, Upp_peter 5楼: Originally posted by purplesdd at 2013-10-17 17:42:17 再问一下,那就是projected dos和partial dos求法也是一样的了?我又看到求碳原子px,py,pz的dos,这个是怎么求的呢?... px,py,pz的dos可以通过LORBIT=11的设置来算,如果只是想...
The local density of states (LDOS) provides a description encompassing both the spatial and energetic distribution of the single-particle eigenstates simultaneously. The angular momentum projected density of states (PDOS) decomposes the density of states energetic distribution into angular momentum componen...