[Wien] New mini PORT option
Michael Gurnett
michael.gurnett at kau.se
Mon May 24 19:29:57 CEST 2004
I have now updated the SRC_mini using the update option in siteconfig.
However. The problem still seems to be there. This time it stopped after the
second cycle. However, forces were still as high as 9 using grep :FGL.
Hope someone can figure out what is wrong (for now I'm back to using NEWT
option)
Michael
----- Original Message -----
From: "Peter Blaha" <pblaha at zeus.theochem.tuwien.ac.at>
To: <wien at zeus.theochem.tuwien.ac.at>
Sent: Friday, May 21, 2004 10:06 AM
Subject: Re: [Wien] New mini PORT option
> > Exactly the same happened in my case: I used PORT option - mini stoped
> > after having performed a first step with the message
>
> Sorry,
> Updated version on the web.
>
> P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-15671 FAX: +43-1-58801-15698
> Email: blaha at theochem.tuwien.ac.at WWW:
http://info.tuwien.ac.at/theochem/
> --------------------------------------------------------------------------
>
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