From: 李文凡 <lim...@gm...> - 2013-05-17 09:39:01
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Dear Dave, Sorry for the delayed reply, turned out I can read the POSCAR/CONTCAR files with the presence of POTCAR in the same directory. Sincerely thanks, Murphy 2013/4/25 David Lonie <dav...@ki...> > On Thu, Apr 25, 2013 at 4:26 AM, 李文凡 <lim...@gm...> wrote: > > Dear Avogadro users, > > > > I installed Avogadro 1.1.0 in my Ubuntu 12.04 desktop. > > Does anyone knows how can I read and export POSCAR files? > > I tried "import crystal from clipboard", > > but the error jumps out immediately: > > "The input is not formatted as one of the following supported formats: > VASP > > Format" > > What were the contents of the clipboard when you did this? (also > remember that linux has two clipboards -- the selection/middle-click > buffer, and the "real" Ctrl-C/Ctrl-V clipboard buffer. I forget which > is actually used here...) > > If you have a POSCAR/CONTCAR formatted file in your clipboard, Import > Crystal from Clipboard will load it into Avogadro. Similarly, > Edit->Copy while a molecule with a unit cell is loaded will place a > POSCAR onto the clipboard. > > CONTCAR/POSCAR files can also be opened using File->Open. For VASP > 5.2+, only the CONTCAR or POSCAR file is needed. For earlier VASP > versions, the POTCAR file needs to be in the same directory to get the > atom types correct. > > Hope this helps, > > Dave > > > ------------------------------------------------------------------------------ > Try New Relic Now & We'll Send You this Cool Shirt > New Relic is the only SaaS-based application performance monitoring service > that delivers powerful full stack analytics. Optimize and monitor your > browser, app, & servers with just a few lines of code. Try New Relic > and get this awesome Nerd Life shirt! http://p.sf.net/sfu/newrelic_d2d_apr > _______________________________________________ > Avogadro-Discuss mailing list > Avo...@li... > https://lists.sourceforge.net/lists/listinfo/avogadro-discuss > |