[CP2K-user] Electronic density cube file not implemented for DFTB method。

Evelyn Navarro easa... at gmail.com
Sat Dec 12 13:16:00 UTC 2020


On Saturday, December 12, 2020 at 9:13:06 PM UTC+8 Evelyn Navarro wrote:

> hello
> I'm a beginner, and I want to try running  a monolayer of  HBN  using the 
> DFTB method, and then output the charge of the atom.But there are always 
> mistakes 。I want to know what the problem is.The display error is 
> Electronic density cube file not implemented for DFTB method。
> Thank you in advance for your help!  
>
> Best regards,
> Evelyn
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20201212/814c06bc/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: hbn.zip
Type: application/x-zip
Size: 29237 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20201212/814c06bc/attachment.bin>


More information about the CP2K-user mailing list