No print MetaGGA energy?

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No print MetaGGA energy?

From: Wei Haiyan <weihy_at_email.domain.hidden>
Date: Wed, 9 Jun 2004 09:37:16 +0800
X-Mailer: Open WebMail 1.53 20011216

Dear list:

 I'm encountering a problem about MetaGGA xc functions with newly
installed version 2004. When I specify
                  MetaGGA
                HFexchange
         xc
         LDA VWN
         GGA Becke perdew

to obtain the total energy of the molecular, I just could get the
bonding energy of METAGGA xc. when I specify

                 Print METAGGA

in the input file, while it seems taking a long time to give no result
just after scf CONVERGED, and in manual, it said that the latter
option is intended for debugging purposes mainly and is not
recommended for general use.

So I wonder hoe could i get the give the total energy of various
metagga and hfexchange xc founctions?

Sincerely yours:

hy wei

 

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Received on 2004-06-09 04:08:33

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