From owner-chemistry@ccl.net Sat Jun 12 10:05:01 2010
From: "mohammad nazari mohammadnazari2005/a\gmail.com" <owner-chemistry++server.ccl.net>
To: CCL
Subject: CCL:G: Help requisition for Gaussian package
Message-Id: <-42103-100612063757-29141-Pz8wOHYgfJQn7t7vbQMueA++server.ccl.net>
X-Original-From: mohammad nazari <mohammadnazari2005~!~gmail.com>
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Date: Sat, 12 Jun 2010 13:38:03 +0330
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Sent to CCL by: mohammad nazari [mohammadnazari2005=gmail.com]
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Dear Sir or Madam

I work with the Gaussian 03 package. I have intered the information about
the crystal structure of cobalt in the GaussView program. Here are the
information:

a=b=c=3.548 angestrom

atom  x    y    z
Co1   0    0    0
Co2   0.5 0    0.5
Co3   0.5 0.5  0
Co4   0    0    0.5

I attached the jgf file of Gaussview but I want to build a surface for
example 110 surface. How can I build its jgf file for for submiting it to
gaussian?

Sincerely
Mohammad Nazari
Research Institute of Petroleum Industry
Tehran
Iran

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<div>Dear Sir or Madam</div>
<div>=C2=A0</div>
<div>I work with the Gaussian 03 package. I have intered the information ab=
out the crystal structure of cobalt in the GaussView program. Here are the =
information:</div>
<div>=C2=A0</div>
<div>a=3Db=3Dc=3D3.548 angestrom<br>=C2=A0<br>atom=C2=A0 x=C2=A0=C2=A0=C2=
=A0 y=C2=A0=C2=A0=C2=A0 z<br>Co1=C2=A0=C2=A0 0=C2=A0=C2=A0=C2=A0 0=C2=A0=C2=
=A0=C2=A0 0<br>Co2=C2=A0=C2=A0 0.5 0=C2=A0=C2=A0=C2=A0 0.5<br>Co3=C2=A0=C2=
=A0 0.5 0.5=C2=A0 0<br>Co4=C2=A0=C2=A0 0=C2=A0=C2=A0=C2=A0 0=C2=A0=C2=A0=C2=
=A0 0.5</div>
<div>=C2=A0</div>
<div>I attached the jgf file of Gaussview but I want to build a surface=C2=
=A0for example=C2=A0110 surface. How can I build its jgf file for for submi=
ting it to gaussian?</div>
<div>=C2=A0</div>
<div>Sincerely</div>
<div>Mohammad Nazari</div>
<div>Research Institute of Petroleum Industry</div>
<div>Tehran </div>
<div>Iran</div>
<div>=C2=A0</div>
<div>=C2=A0</div>

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From owner-chemistry@ccl.net Sat Jun 12 10:54:00 2010
From: "Jan Labanowski janl{}speakeasy.net" <owner-chemistry-$-server.ccl.net>
To: CCL
Subject: CCL: Software and US Export Controls
Message-Id: <-42104-100612102638-23427-FDAHXLtQDd1FvdKyLJQ18A-$-server.ccl.net>
X-Original-From: Jan Labanowski <janl=speakeasy.net>
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Date: Sat, 12 Jun 2010 10:26:28 EDT
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Sent to CCL by: Jan Labanowski [janl[#]speakeasy.net]

While I do it without enthusiasm, I want to remind and warn the CCL Members residing in the US that some software methods and packages are covered by the US Export controls. Seek advice of the qualified lawyer as to the extent of the coverage. You can start reading about it at:

http://www.bis.doc.gov/licensing/exportingbasics.htm

I want to avoid discussing the sensibility of this approach, since already few forests were cut to cover this issue. Likewise I do not want to elaborate on the rationality and actual results of this policity. In my humble opinion the policy has clearly failed. Nonetheless, it is a US law...

Jan
--
Jan Labanowski
CCL Manager