Dear Emilio sir ,
Thank you very much for your help.
On 25 September 2018 at 14:06, Emilio Artacho wrote:
> Dear Sunetra
>
> InitSpin just sets up the initial density matrix to start the
> self-consistency cycle. The spin polarisation at the end
> of the SCF will be whatever spin-polarised DFT
Dear El-Abed,
Den tir. 25. sep. 2018 kl. 22.03 skrev El-abed Haidar <
ehai2...@uni.sydney.edu.au>:
> Thank you so much Nick for your reply. I really appreciate it.
>
> My issues are the moment is understanding the appropriate choice for
> Complex contour integration options and number of gold ato
Dear all,
I am confusing with "Symmetry name of real orbital "of In atom as shown in
below
ioia is spec iao n l m z p sym rcisc iuo
1 1 1 In 1 5 0 0 1 Fs 6.412 0 0 0 1
2 1 1 In 2 5 0 0 2 F
