Thank you very much for the report. I could verify the problem.
To fix the problem it seems to be enough to edit all lines with "download.pl",
like:
$OUT .= "$_";
and add $DIR/before the filename.
$OUT .= "$_";
Thanks for the report.
Tomohiko Tasak
Thanks Stefaan,
I got the hint.
SG
-Original Message-
From: wien-boun...@zeus.theochem.tuwien.ac.at
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Stefaan
Cottenier
Sent: Tuesday, April 13, 2010 3:42 PM
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] [Wien2k U
ubbed...
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1.000 -0.293 -0.749 0.532 -0.391
Or
-0.391 0.891 0.551 -0.968 1.000
Any suggestions would be of great help
SG
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When doing a c/a optimization a file with the name "fit.log" is generated.
In the end of this file the values of a1,a2,a3,a4,a5 are given. It
must say final set of parameters.
M.Soumelidou
Dear w2web maintainer,
I think that download links in rho.pl/dos.pl/etc don't work well.
because it can't find the information of their directory.
could you please check and fix them?
* here is a sample for updating dos.pl.
You are confusing the convergence of forces to a definite value within
the scf cycle and convergence of forces towards zero within a set of
geometry optimization steps.
Stefaan
Ghosh SUDDHASATTWA wrote:
> Dear Wien2k Users,
>
> The default value of tolf parameter is 2.0 as given in the UG.
>
.at/pipermail/wien/attachments/20100413/ceda885c/attachment.htm>
gt; Suddhasattwa
>
> ___
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>
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No you don't have "the same error".
His error says:
> qtl00418409 MAIN__ 607 > qtlmain.f
Which means the line number in subroutine qtlmain.
From this I can see that he probably made a stupid input input error,
because the code comes to this line only for optio
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