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
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