From owner-chemistry@ccl.net Mon Aug 8 02:24:00 2016 From: "=?UTF-8?Q?Serdar_Bado=C4=9Flu?= serdarbadoglu---gmail.com" To: CCL Subject: CCL: gaussian jobs Message-Id: <-52337-160808021857-30076-l2wgc4Mx1X1IBRIyI5gtQw::server.ccl.net> X-Original-From: =?UTF-8?Q?Serdar_Bado=C4=9Flu?= Content-Type: multipart/alternative; boundary=94eb2c0b76eaac05f705398963ad Date: Mon, 8 Aug 2016 09:18:48 +0300 MIME-Version: 1.0 Sent to CCL by: =?UTF-8?Q?Serdar_Bado=C4=9Flu?= [serdarbadoglu^gmail.com] --94eb2c0b76eaac05f705398963ad Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: quoted-printable Hi Rakhila, Calculation time depends on the chosen method & basis set combination, size and structure of the molecular system, features of the computer system you're doing your calculations, etc. So, one cannot suggest any average time period for the successfull calculation. Regards, On Sat, Aug 6, 2016 at 5:22 AM, Rakhila nair M rakhila.b###gmail.com < owner-chemistry(~)ccl.net> wrote: > > Sent to CCL by: "Rakhila nair M" [rakhila.b:-:gmail.com] > I am doing optimisation of a transition metal complex by using B3LYP, 6- > 31g(d,p) BASIS SET.It is the 9 th day calculation is running.Is it on the > right way of working.Anyone suggest average time period for the successfu= ll > calculation. > rakhila, > bharthiar university, > Coimbathore > > > > -=3D This is automatically added to each message by the mailing script = =3D-> > > --=20 Serdar BADO=C4=9ELU, Ph.D. --94eb2c0b76eaac05f705398963ad Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
Hi Rakhila,

Calculation time depends on= the chosen method & basis set combination, size and structure of the m= olecular system, features of the computer system you're doing your calc= ulations, etc. So, one cannot suggest any=C2=A0average time period for the successfull=C2=A0calculation.

Regards,

On Sat, Aug 6= , 2016 at 5:22 AM, Rakhila nair M rakhila.b###= gmail.com <owner-chemistry(~)ccl.net> wrote:

Sent to CCL by: "Rakhila nair M" [rakhila.b:-:gmail.com]
I am doing optimisation of a transition metal complex by using B3LYP, 6- 31g(d,p) BASIS SET.It is the 9 th day calculation is running.Is it on the right way of working.Anyone suggest average time period for the successfull=
calculation.
rakhila,
bharthiar university,
Coimbathore



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Serdar= BADO=C4=9ELU, Ph.D.
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