[CP2K-user] MO energy calculation via OT method

[Feng Xu]

Dear Matt,
  It works correctly. Thank you for your rapid respons!

Best Regars!
Feng Xu

在 2020年5月2日星期六 UTC+8下午8:09:43，Matt W写道：
>
> The MO keyword isn't really compatible with OT. You can use the MO_CUBES 
> section and set it to not write out cube files to get similar info when 
> using OT.
>
> Matt
>
> On Saturday, May 2, 2020 at 12:11:25 PM UTC+1, Feng Xu wrote:
>>
>> Dear experts,
>>    When I calculate the MO energy of a slab model via OT method, the 
>> results are always 0 as below
>>  
>>
>> ----------------------------------------------------------------------------------
>> MO EIGENVALUES AND MO OCCUPATION NUMBERS
>>
>> # MO index          MO eigenvalue [a.u.]            MO occupation
>>          1                      0.000000                 2.000000
>>          2                      0.000000                 2.000000
>>          3                      0.000000                 2.000000
>>          4                      0.000000                 2.000000
>>          5                      0.000000                 2.000000
>>          6                      0.000000                 2.000000
>>          7                      0.000000                 2.000000
>>          8                      0.000000                 2.000000
>> # Sum                                                   16.000000
>>
>> -----------------------------------------------------------------------------------
>>
>> It looks strange. How to solve this issue? Thank you!
>>
>> Best Regards!
>> Feng Xu
>>
>
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