From owner-chemistry@ccl.net Fri Dec 18 15:57:01 2015 From: "Igors Mihailovs igorsm!=!cfi.lu.lv" To: CCL Subject: CCL: restart option in Gaussian 09w Message-Id: <-51932-151218121755-22765-Czqsf6f/SsQTULyy08p/Mg]![server.ccl.net> X-Original-From: Igors Mihailovs Content-Type: multipart/alternative; boundary="=_97677b1cb851566aa615958b323a93e2" Date: Fri, 18 Dec 2015 19:17:49 +0200 MIME-Version: 1.0 Sent to CCL by: Igors Mihailovs [igorsm.:.cfi.lu.lv] --=_97677b1cb851566aa615958b323a93e2 Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=US-ASCII Dear Partha, I suppose You just need to replace the failed step with %rwf=myrwf2b3lyp %chk=2b3lypTrans State 15 anthra.chk %mem=1500mb # Restart --Link1-- (all the next steps, if any, should be simply copied here > from the original file) With best wishes, Igors Mihailovs (engineer) Institute of Solid State Physics University of Latvia --=_97677b1cb851566aa615958b323a93e2 Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset=UTF-8

Dear Partha,

 
I suppose You just need to replace the failed step with

%r= wf=3Dmyrwf2b3lyp
%chk=3D2b3lypTrans State 15 anthra.chk
%mem=3D15= 00mb
# Restart

--Link1--
(all the next steps, if any, should be simply copied here from the original= file)


With best wishes,
Igors Mihailovs (engineer)
Institute of Solid State Physics
University of Latvia
 
 
 
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