Liney Arnadottir wrote: >Thank you, that works for jmol-11. >VASP in Vienna Ad-initio simulation package and the native files are >easily converted to xyz, the vibration vector and the configurations >are separated files so some sort of conversion is always needed. >I´m not familiar with any of the other formats are the any big >advances to them ? > > no, except then you can get a menu with wavenumbers listed. But it's probably not worth it if you have that going now.
Bob >Liney > >On Feb 12, 2007, at 10:38 PM, Bob Hanson wrote: > > > >>If you are manually producing XYZ files, try the xyz-vib format: >> >>Xx x y z dx dy dz >> >>That is, you just add the vibration vector on to each line. >> >>But what is a VASP calculation? Is there a native file format we >>can get >>Jmol to read? >> >> >>Bob Hanson >> >> >>Liney Arnadottir wrote: >> >> >> >>>I´m trying to view vibration in jmol 11 from VASP calculations. Which >>>file format is best for that and is there a example of the file >>>format somewhere. I´m mainly using xyz formats and have tried making >>>a web site with the wedvibs script but that doesn´t work with my >>>manually made xyz files. >>>thanks >>>--------------------------------------------------------------------- >>>---- >>>Using Tomcat but need to do more? Need to support web services, >>>security? >>>Get stuff done quickly with pre-integrated technology to make your >>>job easier. >>>Download IBM WebSphere Application Server v.1.0.1 based on Apache >>>Geronimo >>>http://sel.as-us.falkag.net/sel? >>>cmd=lnk&kid=120709&bid=263057&dat=121642 >>>_______________________________________________ >>>Jmol-users mailing list >>>[email protected] >>>https://lists.sourceforge.net/lists/listinfo/jmol-users >>> >>> >>> >>> >>---------------------------------------------------------------------- >>--- >>Using Tomcat but need to do more? Need to support web services, >>security? >>Get stuff done quickly with pre-integrated technology to make your >>job easier. >>Download IBM WebSphere Application Server v.1.0.1 based on Apache >>Geronimo >>http://sel.as-us.falkag.net/sel? >>cmd=lnk&kid=120709&bid=263057&dat=121642 >>_______________________________________________ >>Jmol-users mailing list >>[email protected] >>https://lists.sourceforge.net/lists/listinfo/jmol-users >> >> > > >------------------------------------------------------------------------- >Using Tomcat but need to do more? Need to support web services, security? >Get stuff done quickly with pre-integrated technology to make your job easier. >Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo >http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 >_______________________________________________ >Jmol-users mailing list >[email protected] >https://lists.sourceforge.net/lists/listinfo/jmol-users > > ------------------------------------------------------------------------- Take Surveys. Earn Cash. Influence the Future of IT Join SourceForge.net's Techsay panel and you'll get the chance to share your opinions on IT & business topics through brief surveys-and earn cash http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
