Wannier Spread

JQ gohjin... at gmail.com
Mon Feb 18 14:24:16 CET 2013


I have found that the quantities are related to 
Spread Functional     sum_in -w_i ln(|z_in|^2)    sum_in w_i(1-|z_in|^2)
which are mentioned in the output file.

On Friday, February 15, 2013 4:18:30 PM UTC+2, JQ wrote:
>
> 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
>>
>
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