[CP2K:500] optical properties

Teodoro Laino teodor... at gmail.com
Sat Jan 5 08:54:16 UTC 2008

On 2 Jan 2008, at 10:46, Toon Verstraelen wrote:

> Hi All,
> I have a short question on the capabilities of CP2K. Can CP2K  
> produce an electronic
> density of states? If so, does CP2K implement extensions to the  
> standard DFT formalism to
> compute more accurate density of states?

Hi Toon,

sure you can compute density of states. At the moment there are no  
extensions to the standard DFT formalism.
Hope this helps,


> Best Regards,
> Toon
> >

More information about the CP2K-user mailing list