[Wien] DFTD3 stop error

[tran at theochem.tuwien.ac.at]

Not much for the moment. What is the output when

dftd3 case.poscar -pbc -func pbe -zero

is executed (without x) by replacing case.poscar by the one in your
directory?


On Tuesday 2016-06-14 23:27, Tristan de Boer wrote:

>Date: Tue, 14 Jun 2016 23:27:14
>From: Tristan de Boer <tristan.deboer at usask.ca>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>Subject: Re: [Wien] DFTD3 stop error
>
> Hi,
> I get:
> $ which dftd3
> ~/wien2k14us-tmod/wien14us/bin/dftd3
> $ x dftd3
> 0.001u 0.000s 0:00.00 0.0%	0+0k 0+8io 0pf+0w
>
> The dftd3 is one for which I've uncommented the three .EDISP lines. '.EDSIP' 
> does exist, but is an empty file in my case folder.
> I hope that helps.
>
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