Dear Dr. Ramzan Saeed, Thank you for your message. You may send follow up
questions to our support E-mail address or the ADF forum on our
website. For periodic LCAO DFT
calculations you can use the BANDdos GUI utility of our BAND
program: For the simplest example see: http://www.scm.com/Doc/Doc2008.01/BANDGUI/BANDGUI_tutorial/page15.html You can use it
to show also partial density of states, for example only d-functions of selected
atoms. For ADF itself, you can
use the DOS program, which produces text output at the
moment: It also has several unique features, including support for ADF's
fragment orbitals. The following options are available for computations by dos:
An example input is given here (see also
$ADFHOME/examples/adf in your ADF directory): Best regards, Stan van Gisbergen SCM On Nov 10,
2008, at 6:09 PM, Janjua Ramzan Saeed janjua]^[nenu.edu.cn
wrote: Sent to CCL by: "Janjua Ramzan Saeed"
[janjua()nenu.edu.cn] Hi
! I want to know that how can we
calculate DOS (density of states) by using ADF software? Janjua PhD
Scholar Northeast Normal
University, Changchun, CHINA |