From owner-chemistry;at;ccl.net Thu Jul 11 06:17:01 2019 From: "mo.fateh-.-yahoo.com mo.fateh-.-yahoo.com" To: CCL Subject: CCL: SDD basis and polarisation functions Message-Id: <-53789-190711044607-7145-H3J9QTKegMI+7uMqJKAu0A..server.ccl.net> X-Original-From: "mo.fateh|yahoo.com" Content-Type: multipart/alternative; boundary="----=_Part_8756171_2013342998.1562834749186" Date: Thu, 11 Jul 2019 08:45:49 +0000 (UTC) MIME-Version: 1.0 Sent to CCL by: "mo.fateh(0)yahoo.com" [mo.fateh(0)yahoo.com] ------=_Part_8756171_2013342998.1562834749186 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: quoted-printable Dear=C2=A0Pierre, Thanks for your answer. However, can you please let me know the reference f= or these numbers: 0.7, 0.55 and 0.9 for P, O, and C, respectively? ThanksMo On Thursday 11 July 2019, 08:24:24 GMT+2, Pierre Archirel pierr= e.archirel(~)u-psud.fr wrote: =20 =20 =20 Sent to CCL by: "Pierre=C2=A0 Archirel" [pierre.archirel(a)u-psud.fr] This is an example of my data: #t b3lyp sddall extrabasis opt ..... P 0 d 1 0.70 **** O 0 d 1 0.55 **** C 0 d 1 0.9 **** Best wishes, Pierre Archirel, LCP, Universite d'Orsay pierre.archirel,+,u-psud.fr -=3D This is automatically added to each message by the mailing script =3D-=C2=A0 =C2=A0 =C2=A0=C2=A0 =C2=A0 =C2=A0Subscribe/Unsubscribe:=20 =C2=A0 =C2=A0 =C2=A0Job: http://www.ccl.net/jobs=20=C2=A0 =C2=A0 =C2=A0=20 ------=_Part_8756171_2013342998.1562834749186 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
Dear Pierre,

Thanks for your answ= er. However, can you please let me know the reference for these numbers: 0.= 7, 0.55 and 0.9 for P, O, and C, respectively?

=
Thanks
Mo
=20
=20
On Thursday 11 July 2019, 08:24:24 GMT+2, Pierre Archir= el pierre.archirel(~)u-psud.fr <owner-chemistry|*|ccl.net> wrote:



Sent to CC= L by: "Pierre  Archirel" [pierre.archirel(a)u-psud.fr]
This is an example of my data:

#t b3lyp sddall extrabasis opt

.....

P 0
d 1
0.70
****
O 0
<= /div>
d 1
0.55
****
C 0
d= 1
0.9
****
=

Best wishes,
Pierre Archirel, LCP, Universite d'Orsay
pierre.archirel,+,u-psud.fr



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