From owner-chemistry@ccl.net Thu Apr 28 17:37:00 2011
From: "Kacper Druzbicki kacper.druzbicki{:}uj.edu.pl" <owner-chemistry~!~server.ccl.net>
To: CCL
Subject: CCL: CASTEP: Restarting DFPT Calculations
Message-Id: <-44480-110428170433-8932-9sDBf4KiJxejLsXjyV8+gA~!~server.ccl.net>
X-Original-From: "Kacper  Druzbicki" <kacper.druzbicki]=[uj.edu.pl>
Date: Thu, 28 Apr 2011 17:04:31 -0400


Sent to CCL by: "Kacper  Druzbicki" [kacper.druzbicki,,uj.edu.pl]
Dear CCL Subscribers,

I am dealing with a quite big system, trying to compute Raman Intensities via CASTEP, what is really time consuming in my case.

I wonder if it is possible to restart such DFPT calculations after reaching the time limit at my computer centre.

I would really appreciate if someone could brief me about it.

Many thanks in advance,

Kind Regards,
Kacper

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Kacper Druzbicki,
Faculty of Chemistry,
Department of Chemical Physics,
Jagiellonian University,
Ingardena Street 3, 30-060 Cracow, Poland
phone: +48 12 6632265
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