From owner-chemistry /at\ccl.net Mon Jun 14 20:44:00 2021 From: "Kerwin Dobbs kerwin.d.dobbs[*]gmail.com" To: CCL Subject: CCL: Location of Basis Set Message-Id: <-54399-210614191802-20390-uYbbINyfkHbuVuB4TN8kjg : server.ccl.net> X-Original-From: Kerwin Dobbs Content-Type: multipart/alternative; boundary="Apple-Mail=_E6C758A3-95B5-40D1-BE27-AD52BDD395F3" Date: Mon, 14 Jun 2021 19:17:55 -0400 Mime-Version: 1.0 (Mac OS X Mail 13.4 \(3608.120.23.2.4\)) Sent to CCL by: Kerwin Dobbs [kerwin.d.dobbs||gmail.com] --Apple-Mail=_E6C758A3-95B5-40D1-BE27-AD52BDD395F3 Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset=utf-8 Mark, I was just on the Basis Set Exchange website. They have this basis set = under =E2=80=9Cdgauss-dzvp=E2=80=9D. This is probably what you are = looking for since =E2=80=9CDG=E2=80=9D stands for DGauss, a program = intially created by the original Cray. Kerwin Dobbs retired DuPonter playing with computer sciency stuff, 8^) > On Jun 14, 2021, at 6:33 PM, Mark Zottola mzottola . gmail.com = wrote: >=20 > I am looking for the DGDZVP basis set. > I am running GAMESS(US) and Firefly. > The Basis Set Exchange does not include this in its database. > There is a listing on github but it would require significant editing = to ensure proper formatting. > Is there a place I can get the GAMESS compatible basis set? >=20 > Thanks... --Apple-Mail=_E6C758A3-95B5-40D1-BE27-AD52BDD395F3 Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset=utf-8 Mark,

I = was just on the Basis Set Exchange website. They have this basis set = under =E2=80=9Cdgauss-dzvp=E2=80=9D. This is probably what you are = looking for since =E2=80=9CDG=E2=80=9D stands for DGauss, a program = intially created by the original Cray.

   Kerwin Dobbs
   retired DuPonter playing with computer sciency = stuff, 8^)


On Jun 14, 2021, at 6:33 PM, Mark Zottola mzottola . gmail.com <owner-chemistry+*+ccl.net> wrote:

I am = looking for the DGDZVP basis set.
I am running GAMESS(US) and Firefly.
The Basis Set Exchange = does not include this in its database.
There is a listing on github but it would = require significant editing to ensure proper formatting.
Is there a place I can = get the GAMESS compatible basis set?

Thanks...

= --Apple-Mail=_E6C758A3-95B5-40D1-BE27-AD52BDD395F3--