From owner-chemistry@ccl.net Sat Jul 23 03:24:01 2016 From: "teja reddy reddyteja80.++.gmail.com" To: CCL Subject: CCL:G: Input about augmented LANL2DZ basis set Message-Id: <-52331-160723032057-22789-AYbu9L5GtpUbWCv+8FSvPA++server.ccl.net> X-Original-From: teja reddy Content-Type: multipart/alternative; boundary=001a1141de7622608e05384864ba Date: Sat, 23 Jul 2016 12:50:52 +0530 MIME-Version: 1.0 Sent to CCL by: teja reddy [reddyteja80_-_gmail.com] --001a1141de7622608e05384864ba Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: quoted-printable Dear friends, How can I give exact input in Gaussian09 to augment LANL2DZ valence basis set with diffuse(f) and polarisation (g) functions for transition metal (Ex: Pt, Ni, Pd). I'm getting error message. please help m= e thanks in advance --=20 *=E2=80=8BTeja Reddy* --001a1141de7622608e05384864ba Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable

Dear = friends, How can I give exact input in Gaussian09 to augment LANL2DZ valenc= e basis set with diffuse(f) and polarisation (g) functions for transition m= etal (Ex: Pt, Ni, Pd). I'm getting error message. please help me

<= div class=3D"gmail_default" style=3D"color:#000000">thanks in advance

=E2=80=8BTeja Reddy

=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0

--001a1141de7622608e05384864ba-- From owner-chemistry@ccl.net Sat Jul 23 15:37:01 2016 From: "David Shobe avidshobe#%#yahoo.com" To: CCL Subject: CCL:G: Input about augmented LANL2DZ basis set Message-Id: <-52332-160723153505-19017-LqnDk5d+hlMdDuqKRbUc1g+/-server.ccl.net> X-Original-From: David Shobe Content-Type: multipart/alternative; boundary="----=_Part_3548406_1809748001.1469302368300" Date: Sat, 23 Jul 2016 19:32:48 +0000 (UTC) MIME-Version: 1.0 Sent to CCL by: David Shobe [avidshobe\a/yahoo.com] ------=_Part_3548406_1809748001.1469302368300 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: quoted-printable Teja-- Are you using the extrabasis keyword? =C2=A0What error message are you gett= ing? =C2=A0Can you show your input? --David Shobe=20 On Saturday, July 23, 2016 3:06 AM, "teja reddy reddyteja80.(_).gmail.com= " wrote: =20 Dear friends, How can I give exact input in Gaussian09 to augment LANL2DZ = valence basis set with diffuse(f) and polarisation (g) functions for transi= tion metal (Ex: Pt, Ni, Pd). I'm getting error message. please help methank= s in advance --=20 =E2=80=8BTeja Reddy=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0= =C2=A0=C2=A0=20 ------=_Part_3548406_1809748001.1469302368300 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable

Teja--

<= div id=3D"yui_3_16_0_ym19_1_1469301281858_26769">Are you using the extrabas= is keyword? What error message are you getting? Can you show yo= ur input?

--David Shobe

On Saturday, July 23, 2016 3:06 AM, "teja reddy reddyteja80.(_).g= mail.com" <owner-chemistry(_)ccl.net> wrote:

Dear fri= ends, How can I give exact input in Gaussian09 to augment LANL2DZ valence b= asis set with diffuse(f) and polarisation (g) functions for transition meta= l (Ex: Pt, Ni, Pd). I'm getting error message. please help me

thanks in advanc= e

=E2=80=8BTeja Reddy

&= nbsp;

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