Thanks Mr. Rahnama but the question is still there that why zero kelvin DFT based calculations are compared with experimentally calculated values at > 0 K temp"
thanks Date: Tue, 9 Jun 2015 12:12:06 +0000 From: rahn...@hsu.ac.ir To: wien@zeus.theochem.tuwien.ac.at Subject: Re: [Wien] (no subject) Dear Sikander, DFT based calculations are the ground state calculations. In this state, Energy of system without any perturbation is minimum at Zero K. Regards, Rahnama From: "sikandar azam" <sikandar...@yahoo.com> To: wien@zeus.theochem.tuwien.ac.at Sent: Tuesday, June 9, 2015 2:32:33 PM Subject: [Wien] (no subject) Dear All Please answer me this question explain why zero kelvin DFT based calculations are compared with experimentally calculated values at >0 K temp" with regards sikander _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
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