Pseudopotential vps file|
- Date: 2012/09/18 11:46
- Name: Kwangwoo
- Dear Dr. T. Ozaki and all users
I have a question about pseudopotential file, xxx.vps.
At DFT_DATA11/VPS directory, there is C_CA11.vps file and in that file, the option for calculating pseudopotential is as follows:
So I think that the pseudopotential looks like this
ln(r) / r / local_part / nonlocal_s_orbital(x4 because of Blochl.projector.num) / nonlocal_p_orbital(x4) / nonlocal_d_orbital(x4)
I expected that in one line, there are 1+1+1+4+4+4=15 numbers. However, in the file, there are 27 numbers!
What is wrong with my guess? Does anyone know about it?
Thank you very much.