From owner-chemistry@ccl.net Sat Nov 7 11:11:01 2009 From: "=?ISO-8859-1?Q?Ulf_Ekstr=F6m?= uekstrom=-=gmail.com" To: CCL Subject: CCL: Is there a reference DFT functional database? Message-Id: <-40631-091107092355-18989-6hzGHBHSjCzGbCJ5wTw4ug|*|server.ccl.net> X-Original-From: =?ISO-8859-1?Q?Ulf_Ekstr=F6m?= Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset=ISO-8859-1 Date: Sat, 7 Nov 2009 15:18:19 +0100 MIME-Version: 1.0 Sent to CCL by: =?ISO-8859-1?Q?Ulf_Ekstr=F6m?= [uekstrom .. gmail.com] > Have a look at http://www.cse.scitech.ac.uk/ccg/dft/contents.html. You'll > find several atomic values (total energies, they are not partitioned into= x > and c contributions) and fortran subroutines implementing various > functionals that could be useful for your purposes. Thank you, this is exactly what I was looking for. Sincerely, Ulf Ekstr=F6m