units for linear response


  • Guest -
6:56:59 AM PDT - Fri, Sep 16th 2011
I was wondering if someone could help me with the units used in the properties module for linear response calculations. The manual specifies that frequency to be given in hartrees.

To do this, I have 1 GHz = 6.6e-7 eV. This gives me a value of 1 GHz = 2.42e-8 Eh. Is this correct? A 20 GHz frequency would be ~10^-7. This seems suspicious as the example has a value of ~10^-2.

Forum Regular
1:27:16 PM PDT - Fri, Sep 16th 2011
Hi,

1 eV ~ 2.418 x 10^14 Hz

or

1 eV ~ 2.418 x 10^5 GHz

The example means ~5.1 x 10^5 GHz = 7.7317 x 10^-2 au

Hope this helps.

Best,
-Niri

Forum Regular
3:50:55 PM PDT - Fri, Sep 16th 2011
Btw, That frequency corresponds to 589.3 nm. This corresponds to the sodium D line


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