CCL: Total density from unrestricted ADF calculations
- From: "Radoslaw Kaminski" <rkaminski.rk ..
- Subject: CCL: Total density from unrestricted ADF calculations
- Date: Sat, 21 Dec 2013 21:53:23 -0500
Sent to CCL by: "Radoslaw Kaminski" [rkaminski.rk _ gmail.com]
I was trying to use ADF densf utility to compute the total density from my
unrestricted calculations. I used the keyword:
This resulted in two CUB files, each with alpha and beta densities. Is there a
way to compute one single grid with total density? Obviously I can sum those
grids manually, but I would like to produce the total density grid at once.
Thanks in advance,