29楼: Originally posted by ustbwgs at 2013-10-15 04:28:45
What is the unit in X-axis? Why is it so big? 500 something, it is huge. And waht is the unit in vertical line, these number is so small. Theoretically, the unit of y is arbitray. But, the physical m ...

31楼: Originally posted by 奔跑的爷们 at 2013-10-15 09:22:19
买 应给利息 诶兹 饿 泪偷 rasty.
你的英语太好了，我半天才读懂
大侠，the number of energy points 在vasp里的参数是什么？NEDOS？...

32楼: Originally posted by ustbwgs at 2013-10-15 14:33:36
那是我英语太搓了，说得你都不理解。Sorry for that.
能量点就是横轴上每隔多大算一个点，也是横轴上每隔多少取一个点。我以前不用VASP，最近才开始用，还不知道里面的哪个参数困制这个。
你还没回答我：你的横 ...

34楼: Originally posted by pangrui1985 at 2014-03-10 15:59:01
这个就是ISMEAR的问题，第一张图应该用的是高斯展宽，你的图不清楚，看样子是洛伦兹类的，不过如果是这个值你怎么改都变不成第一张。
有两个方法，一是你用ISMEAR = 0再算一遍；二是你把能级读出来，用高斯展宽以后 ...