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.deb...@usask.ca>
Reply-To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
To: A Mailing list for WIEN2k users <wien@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.
_______________________________________________
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
