From owner-chemistry;at;ccl.net Tue Jun 15 09:48:00 2021 From: "Mark Zottola mzottola{=}gmail.com" To: CCL Subject: CCL: Location of Basis Set Message-Id: <-54400-210614221701-13404-QS/MWBQecfSIZVEgjEYwng*|*server.ccl.net> X-Original-From: Mark Zottola Content-Type: multipart/alternative; boundary="0000000000006a018405c4c49114" Date: Mon, 14 Jun 2021 22:16:45 -0400 MIME-Version: 1.0 Sent to CCL by: Mark Zottola [mzottola=-=gmail.com] --0000000000006a018405c4c49114 Content-Type: text/plain; charset="UTF-8" Content-Transfer-Encoding: quoted-printable Thanks, I'll check it out! On Mon, Jun 14, 2021 at 9:06 PM Kerwin Dobbs kerwin.d.dobbs[*]gmail.com < owner-chemistry]=[ccl.net> wrote: > 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 lookin= g 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... > > > --0000000000006a018405c4c49114 Content-Type: text/html; charset="UTF-8" Content-Transfer-Encoding: quoted-printable
Tha= nks, I'll check it out!

<= div dir=3D"ltr" class=3D"gmail_attr">On Mon, Jun 14, 2021 at 9:06 PM Kerwin= Dobbs kerwin.d.dobbs[*]gmail.com <owner-chemistry]=[ccl.net> wrot= e:
Mark,

I was just on the Bas= is Set Exchange website. They have this basis set under =E2=80=9Cdgauss-dzv= p=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.<= /div>

=C2=A0 =C2=A0Kerwin Dobbs
=C2=A0 =C2=A0r= etired DuPonter playing with computer sciency stuff, 8^)


On Jun 14, 2021, at 6:33 PM,= Mark Zottola mzottola . gma= il.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 i= ts database.
Th= ere is a listing=C2=A0on github but it would require significant editing to= ensure proper formatting.
Is there a place I can get the GAMESS compatible basis set?

Thanks...

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