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 <[email protected]> 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 <[email protected]> > *To:* [email protected] > *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 <[email protected]> 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 <[email protected]> >> *To:* [email protected] >> *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 <[email protected]>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 <[email protected]> >>> *To:* [email protected] >>> *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 <[email protected]> >>> *To:* [email protected] >>> *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 <[email protected]> >>> *To:* [email protected] >>> *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 >>> >>> >>> >>> ------------------------------------------------------------------------------ >>> 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 >>> [email protected] >>> 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 >> [email protected] >> 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 > [email protected] > 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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