<!DOCTYPE html><html><head> <style type="text/css">body { font-family:'宋体'; font-size:13px}</style> </head> <body>On Tue, 17 May 2016 19:31:57 +0800, Ralph Koitz <ralp...@gmail.com> wrote:<br><div><br></div><div>Dear Ralph,</div><div><br></div><div>Thank you very much. I'd check it.</div><div><br></div><div>Yi Wang</div><div><br></div><blockquote style="margin: 0 0 0.80ex; border-left: #0000FF 2px solid; padding-left: 1ex"><div dir="ltr">Hi<br><div><div class="gmail_extra"><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div>Is there any reference or tutorial you would like to suggest on optimize the basis set?</div><div><br></div></div></blockquote><div>Here is a talk about PP and basis set optimizations with cp2k: <a href="https://www.cp2k.org/_media/events:2015_cecam_tutorial:ling_basis_pseudo.pdf">https://www.cp2k.org/_media/events:2015_cecam_tutorial:ling_basis_pseudo.pdf</a> by S. Ling at the 2015 cp2k tutorial. Hope that helps.<br></div><div><br></div><div>Thorough testing of pseudos and basis sets is advisable before using them in production runs.<br><br></div><div>Best,<br></div><div>Ralph<br></div><div> </div></div></div></div></div></blockquote></body></html>