Robert Hanson wrote:
> I think it's the fact that you have two lines there.
Sorry, that was a cut and paste error when composing the email.
> You need the mode information before the jmolscript: business:
Ah - I wasn't aware you could have both. Thanks.
> Better:
>
> 2
> Mode 1, 1026.29 1/cm jmolscript: {load "" {1 1 1} PACKED unitcell
> {2.573336 2.573336 2.573336 60.000000 60.000000 60.000000}; vibration
> scale 2; vibration on}
> B 0.0000 0.0000 0.0000 0.0927 0.2005 -0.0564
> N 1.2867 0.7429 0.5253 -0.0719 -0.1555 0.0438
>
> I added "vibration on" as well.
But my point is that
2
Mode 1, 1026.29 1/cm jmolscript: {load "" {1 1 1} PACKED unitcell
{2.573336 2.573336 2.573336 60.000000 60.000000 60.000000}; vibration
scale 0; vibration on}
B 0.0000 0.0000 0.0000 0.0927 0.2005 -0.0564
N 1.2867 0.7429 0.5253 -0.0719 -0.1555 0.0438
(note the "vibration scale 0") still produces a vibration with a scale
which is clearly non-zero.
Keith
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