CCL: polarisation for SDD basis

From: "Pierre Archirel" <pierre.archirel a u-psud.fr>
Subject: CCL: polarisation for SDD basis
Date: Thu, 11 Jul 2019 09:07:53 -0400

 Sent to CCL by: "Pierre  Archirel" [pierre.archirel%a%u-psud.fr]
 Dear Mo,
 These numbers have been optimised by myself!
 The data I gave is for a methylphosphate molecule, I have varied them and chosen
 the set which minimises the DFT energy of the molecule. This must be done
 whenever polarisation functions have not been published. Note that this must be
 done in principle for every new system.
 I hope this is clear to you?
 Best wishes,
 Pierre
 Pierre Archirel, LCP, Orsay, France
 pierre.archirel]-[u-psud.fr