From owner-chemistry#* at *#ccl.net Fri Mar 4 11:05:01 2016 From: "Yingbin Ge yingbin.ge~~gmail.com" To: CCL Subject: CCL: regarding excited state calculations Message-Id: <-52102-160304095943-466-WvU0MWGFuj6hEc4olx/+dA~!~server.ccl.net> X-Original-From: Yingbin Ge Content-Type: multipart/alternative; boundary=001a11422190fb30c4052d3a5c5a Date: Fri, 4 Mar 2016 06:59:34 -0800 MIME-Version: 1.0 Sent to CCL by: Yingbin Ge [yingbin.ge-x-gmail.com] --001a11422190fb30c4052d3a5c5a Content-Type: text/plain; charset=UTF-8 Which software are you using? Would you show us your input file? Yingbin On Thursday, March 3, 2016, navjot navu1989mann:gmail.com < owner-chemistry a ccl.net> wrote: > Dear Sir, > > I am working with transition metal oxide clusters. I want to > optimize the first excited state of V4O10 cluster. i had tried by using CIS > and TDDFT methods but my job didn't get completed. it doesn't converge. > kindly help me that how to get proper input for this job. > > With regards > Navjot kaur > --001a11422190fb30c4052d3a5c5a Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable Which software are you using?
Would you show us your input file?
<= div>Yingbin

On Thursday, March 3, 2016, navjot navu1989= mann:gmail.com <owner-chemistry a ccl.net> wrote:
Dear Sir,=C2=A0
=C2=A0 =C2=A0 =C2=A0= =C2=A0
=C2=A0 =C2=A0 =C2=A0 I am working with transition metal o= xide clusters. I want to optimize the first excited state of V4O10 cluster.= i had tried by using CIS and TDDFT methods but my job didn't get compl= eted. it doesn't converge. kindly help me that how to get proper input = for this job.

With regards
Navjot kaur
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