From: SCM Digest Robot <support_at_email.domain.hidden>
Date: Wed, 19 Apr 2006 07:00:00 +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

Topic: Help:Force constant not computed in freq calculations

Link	Post Time	Author	Message Excerpt
125	18 Apr 2006, 11:04 AM CEST	Alexei Yakovlev	This happens when the force constants matrix is incomplete. One of the reasons is the number of iterations in the GEOMETRY input block is set too low. When working with the GUI this can happen when switching from the "Geometryoptimization" task to "Frequencies". In this case the max number of iterations remains that specified in the geometry optimization (30 by default). Best regards, Alexei

Topic: Metallic Alloys

Link	Post Time	Author	Message Excerpt
126	18 Apr 2006, 11:04 AM CEST	Alexei Yakovlev	ADF can do Mulliken population analysis regardless of the composition of the molecule (or cluster). So it can also do it for metals and alloys. Best regards, Alexei

---

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 2006-04-19 07:00:01