UT theoretical chemistry code forum

Dear guys,

After I issued the command split_dos, I got DOS0 and several other DOSxx files. DOS0 is for the whole system and DOSxx is for each atom.

In each of these files, it contains 4 column, first column is the energy. The rest of the 3 columns is for s, p, and d orbitals. My question is: what is the order?

Order 1: 2nd column for s orbitals, 3rd for p, 4th for d

Order 2: 2nd column for d orbitals, 3rd for p, 4th for s

It is the order 2, am I right?

Thanks.

I think it's should be order1. That is the way how vasp write the site-projected dos.

Hi Wenjie, your are right. I double checked the plot and found that the order is Order 1.