Dear everyone
Last time robert has suggested me to use the file vasprun.xml in Jmol for
visualizing the result of my simulation.....I only need to write the Jmol
script like below :
load trajectory vasprun.xml
load trajectory vasprun.xml {3 3 1}
connect {_Ce} {_Ce} delete
I have tried it several times and I already play around in Jmol by using the
several scripts......One thing to say,,,,Jmol is awesome however I still have a
few question and I think it's better to start a new thread
GBU
________________________________
From: Fendy Digislash <xyzf...@yahoo.com>
To: jmol-users@lists.sourceforge.net
Sent: Sun, January 10, 2010 7:53:46 PM
Subject: Re: [Jmol-users] How to add bonds for inorganic compoud from the
OUTCAR file of VASP
Dear robert and others
Thanks a lot for helping until now,,,,I attach the file from the result of my
experiment,,,please see the attachment....I didn't attach the CHG and CHGCAR
file because it's too big,,,the size of the file is about 1 GB and 150 MB
respectively
I'm so thankful for anyone that has support me until now....
GBU
________________________________
From: Robert Hanson <hans...@stolaf.edu>
To: jmol-users@lists.sourceforge.net
Sent: Thu, January 7, 2010 2:58:44 AM
Subject: Re: [Jmol-users] How to add bonds for inorganic compoud from the
OUTCAR file of VASP
Jmol is reading the OUTCAR files now, but I need atom names.
Please zip up a set of files produced by VASP so I can see which ones we need.
On Tue, Jan 5, 2010 at 11:57 PM, Fendy Digislash <xyzf...@yahoo.com> wrote:
> Dear roberts,,,
>
>
>Actually,,,I'm also quite new to use the VASP,,,usually I just copy the last
>position atom from the OUTCAR and make the new file using ULTRAEDIT and then I
>add the atomic symbol next to the last atomic position from OUTCAR file....
>
>
>How do you think robert??? Is there any chance to use j-mol to read the OUTCAR
>file??
>
>
>GBU
>
>
>
>
>
________________________________
From: Robert Hanson <hans...@stolaf.edu>
>To: jmol-users@lists.sourceforge.net
>Sent: Mon, January 4, 2010 8:45:43 PM
>
>Subject: Re: [Jmol-users] How to add bonds for inorganic compoud from the
>OUTCAR file of VASP
>
>
>>Actually, these files are small -- all you had to do was zip them up and give
>>them the extension "._zip" instead of ".zip" and they would have sent fine.
>>Well, we don't need POSCAR. What file do you have that shows the atomic
>>numbers or atomic symbols of the atoms?
>
>
>
>
>On Sun, Jan 3, 2010 at 9:40 PM, Fendy Digislash <xyzf...@yahoo.com> wrote:
>
>>>
>>Dear robert and others
>>
>>
>>Sorry late to send reply....I try to use the You-send-it but I can't connect
>>to it,,,,so I use another website......Here is the link to download the
>>file,,,everyone could have access to it
>>
>>
>>http://sharesend.com/f83ja
>>
>>
>>
>>Thanks...GBU
>>
>>
>>>>
>>
>>
________________________________
From: Robert Hanson <hans...@stolaf.edu>
>>To: jmol-users@lists.sourceforge.net
>>Sent: Sun, January 3, 2010 8:06:53 PM
>>
>>Subject: Re: [Jmol-users] How to add bonds for inorganic compoud from the
>>OUTCAR file of VASP
>>
>>
>>>>You-send-it http://www.yousendit.com/
>>
>>I think I will also need the POSCAR file.
>>
>>
>>On Sun, Jan 3, 2010 at 5:51 AM, Fendy Digislash <xyzf...@yahoo.com> wrote:
>>
>>>>>
>>>Dear robert and others
>>>
>>>I have already tried to send the OUTCAR file but this mailing list has
>>>limitation for attachment file size, so most of the time the administrator
>>>of this mailing list didn't allow my email containing the OUTCAR file
>>>containing the OUTCAR file to pass away to the mailing list.
>>>
>>>How do you think robert??
>>>
>>>GBU
>>>
>>>
________________________________
From: Robert Hanson <hans...@stolaf.edu>
>>>To: jmol-users@lists.sourceforge.net
>>>Sent: Sun, January 3, 2010 11:44:09 AM
>>>
>>>Subject: Re: [Jmol-users] How to add bonds for inorganic compoud from the
>>>OUTCAR file of VASP
>>>
>>>
>>>
________________________________
From: Robert Hanson <hans...@stolaf.edu>
>>>To: jmol-users@lists.sourceforge.net
>>>Sent: Sun, January 3, 2010 11:44:09 AM
>>>
>>>Subject: Re: [Jmol-users] How to add bonds for inorganic compoud from the
>>>OUTCAR file of VASP
>>>
>>>
>>>
________________________________
From: Robert Hanson <hans...@stolaf.edu>
>>>To: jmol-users@lists.sourceforge.net
>>>Sent: Sun, January 3, 2010 11:44:09 AM
>>>
>>>Subject: Re: [Jmol-users] How to add bonds for inorganic compoud from the
>>>OUTCAR file of VASP
>>>
>>>
>>>>>>Dear Fendy -- please send a few sample OUTCAR files so we can see what
>>>>>>you are talking about.
>>>
>>>--
>>>Robert M. Hanson
>>>Professor of Chemistry
>>>St. Olaf College
>>>1520 St. Olaf Ave.
>>>Northfield, MN 55057
>>>http://www.stolaf.edu/people/hansonr
>>>phone: 507-786-3107
>>>
>>>
>>>If nature does not answer first what we want,
>>>it is better to take what answer we get.
>>>
>>>-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>>>
>>>
>>>------------------------------------------------------------------------------
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>>
>>
>>--
>>Robert M. Hanson
>>Professor of Chemistry
>>St. Olaf College
>>1520 St. Olaf Ave.
>>Northfield, MN 55057
>>http://www.stolaf.edu/people/hansonr
>>>>
>>
>>phone: 507-786-3107
>>
>>
>>If nature does not answer first what we want,
>>it is better to take what answer we get.
>>
>>-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>>
>>
>>------------------------------------------------------------------------------
>>>>This SF.Net email is sponsored by the Verizon Developer Community
>>>>Take advantage of Verizon's best-in-class app development support
>>>>A streamlined, 14 day to market process makes app distribution fast and easy
>>>>Join now and get one step closer to millions of Verizon customers
>>http://p.sf.net/sfu/verizon-dev2dev
>>_______________________________________________
>>>>Jmol-users mailing list
>>Jmol-users@lists.sourceforge.net
>>https://lists.sourceforge.net/lists/listinfo/jmol-users
>>
>>
>
>
>--
>Robert M. Hanson
>Professor of Chemistry
>St. Olaf College
>1520 St. Olaf Ave.
>Northfield, MN 55057
>http://www.stolaf.edu/people/hansonr
>>
>phone: 507-786-3107
>
>
>If nature does not answer first what we want,
>it is better to take what answer we get.
>
>-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>
>
>------------------------------------------------------------------------------
>>This SF.Net email is sponsored by the Verizon Developer Community
>>Take advantage of Verizon's best-in-class app development support
>>A streamlined, 14 day to market process makes app distribution fast and easy
>>Join now and get one step closer to millions of Verizon customers
>http://p.sf.net/sfu/verizon-dev2dev
>_______________________________________________
>>Jmol-users mailing list
>Jmol-users@lists.sourceforge.net
>https://lists.sourceforge.net/lists/listinfo/jmol-users
>
>
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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