CCL: Use of pseuopotential for all elements
- From: "Anand S Anand"
<anand.germany---gmail.com>
- Subject: CCL: Use of pseuopotential for all elements
- Date: Mon, 3 Oct 2011 09:27:04 -0400
Sent to CCL by: "Anand S Anand" [anand.germany_-_gmail.com]
Dear CCL members,
Greetings.The pseudopotential basis sets such as lanl2dz has been
generally employed for the elements starting from Sc.I need to know is it
advisable or possible to employ the above pseudopotential for all the elements.
in DFT methods.What are the possible pitfalls normally to be encountered if
employed in such cases. Your suggestions in clarifying my doubts will always be
welcome.
Cheers
Anand