[求助] 下图是怎么做的

Originally posted by zhouqihanshu at 2011-07-25 08:55:31:
给你顶个，我也不知道，看看有高人没

Originally posted by 子虚乌有5388 at 2011-07-25 22:02:31:
做band decomposed 计算，就可得到这种。
这是土耳其人做的吧，他们的文章图做的很好看，很有特色，一看就知道是他们的

6楼: Originally posted by uuv2010 at 2011-07-25 16:11:14:
把（对应的k点、对应的能量）的轨道图做出来就可以得到1楼的那个图了。

11楼: Originally posted by bingmou at 2011-07-26 12:22:56:
真正的电荷密度图是所有占据能级的decompose charge之和

15楼: Originally posted by bingmou at 2011-10-20 03:02:33:
应该可以的，VASP可以做到，MS也应该可以，试试在manual里面找找

16楼: Originally posted by utdwang at 2011-10-20 06:05:36:
This is so called partial charge plot in VASP. Let me give you more details to plot it. After you finish your band structure calculation(need WAVECAR), one more further calculation is needed. In th ...