From: SCM Digest Robot <support_at_email.domain.hidden>
Date: Sat, 27 May 2006 07:00:01 +0200
X-Mailer: PHP

Dear adf-list,

As you requested, here is the latest digest of messages posted on SCM forums. Please come and join the discussion!

---

Forum: ADF and ADF-GUI discussions

Topic: Open Shell Frequency Calculation

Link	Post Time	Author	Message Excerpt
169	26 May 2006, 03:05 PM CEST	duncan50	I am working on open shell metalloporphyrin calculation. After defining the electronic structure with occupation command and geometry optimization. Now I'm trying to do frequency calculation to exam whether the structure I got is lowest in energy. And here is the question, how can I define the electronic state when doing frequency calculation?

---

Your digest options:

Format of the Digest: HTML
Show Message Text: YES
Show My Messages: YES
Digest Frequency: DAY
Show only new messages since last time I logged in: FALSE
Send digest if no new messages: NO
Time digest sent (based on time zone in your profile): 7 AM
Maximum characters per message in digest: 32000

---

This digest is being sent to registered members of SCM forums and only because you explicitly requested it. SCM is completely commercial free. Your email address is never disclosed to outside parties. See our FAQ for more information on our privacy policies. You can change or delete your subscription by logging into SCM from the Digest Page. (You must be logged in to change your digest settings.) If you have questions or feedback on the format of this digest please send it to the SCM Webmaster.

Received on 2006-05-27 07:00:01