Re: [Jmol-users] vibrational modes for websites

[Liney A. <lineya@u.washington.edu>]

Thank you, that works for jmol-11.
VASP in Vienna Ad-initio simulation package and the native files are =20
easily converted to xyz, the vibration vector and the configurations =20
are separated files so some sort of conversion is always needed.
I=B4m not familiar with any of the other formats are the any big =20
advances to them ?
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 =20
> can get
> Jmol to read?
>
>
> Bob Hanson
>
>
> Liney Arnadottir wrote:
>
>> I=B4m 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=B4m mainly using xyz formats and have tried =
making
>> a web site with the wedvibs script but that doesn=B4t work with my
>> manually made xyz files.
>> thanks
>> ---------------------------------------------------------------------=20=

>> ----
>> Using Tomcat but need to do more? Need to support web services, =20
>> security?
>> Get stuff done quickly with pre-integrated technology to make your =20=

>> job easier.
>> Download IBM WebSphere Application Server v.1.0.1 based on Apache =20
>> Geronimo
>> http://sel.as-us.falkag.net/sel?=20
>> cmd=3Dlnk&kid=3D120709&bid=3D263057&dat=3D121642
>> _______________________________________________
>> Jmol-users mailing list
>> Jmo...@li...
>> https://lists.sourceforge.net/lists/listinfo/jmol-users
>>
>>
>
>
> ----------------------------------------------------------------------=20=

> ---
> Using Tomcat but need to do more? Need to support web services, =20
> security?
> Get stuff done quickly with pre-integrated technology to make your =20
> job easier.
> Download IBM WebSphere Application Server v.1.0.1 based on Apache =20
> Geronimo
> http://sel.as-us.falkag.net/sel?=20
> cmd=3Dlnk&kid=3D120709&bid=3D263057&dat=3D121642
> _______________________________________________
> Jmol-users mailing list
> Jmo...@li...
> https://lists.sourceforge.net/lists/listinfo/jmol-users