Wannier Spread

JingQiang gohjin... at gmail.com
Fri Feb 15 14:18:30 UTC 2013


Dear CP2K users,

I am wondering about this issue as well. Could it be the case where the two 
columns representing  
<w|r^{2}|w>, <w|r|w> which determine the minimized spread of orbital?

Thank you.

Best regards,
JQ

On Wednesday, December 1, 2010 5:44:00 PM UTC+2, malay rana wrote:
>
> Dear all,
>                       Could anybody please tell me what
> the last two columns in wannier spread file correspond to?
>
> Thanks,
> With best regards,
> malay
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20130215/a99838f8/attachment.htm>


More information about the CP2K-user mailing list