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”
I want to use Avogadro for VASP jobs, please help me to solve this problem!
Sincere thanks,
Murphy
On Thu, Apr 25, 2013 at 4:26 AM, 李文凡 limurphy1985@gmail.com 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
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 david.lonie@kitware.com
On Thu, Apr 25, 2013 at 4:26 AM, 李文凡 limurphy1985@gmail.com 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
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