[Wien] LMMAX again
stargmoon
stargmoon at yahoo.com
Wed Jan 19 18:27:19 CET 2005
Dear WIEN community,
A couple of days ago, I asked a question about LMMAX here and Kevin's answer helped me a lot. However, when I try to add LM list manually, I meet problems. For example, with a site symmetry "2/M", as listed in Table7.39 in usersguide, the LM combination should be (+-2l,2m). So I try to set l=0,1,2,3, (m=0,1,...l for each l) in order to reproduce the default lmmax up to 6, and I get 19 LM combinations manually. However, I only got 16 LM combinations after I run "SYMMETRY". Those three (-2,0) (-4,0) and (-6,0) do not show up in the LM list obtained from SYMMETRY. What's the problem here? Or I did something wrong? Your reply will be highly appreciated.
Best,
Stargmoon
---------------------------------
Do you Yahoo!?
Yahoo! Mail - You care about security. So do we.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20050119/bca0d5a4/attachment.html
More information about the Wien
mailing list