Spin density for each MO

Matt W mattwa... at gmail.com
Tue Sep 26 00:56:41 UTC 2017


E_DENSITY_CUBE will print a SPIN_DENSITY cube for an unrestricted 
calculation.

On Tuesday, September 26, 2017 at 5:16:05 AM UTC+8, Xiaoming Wang wrote:
>
> I find the solution. One can generate the MO_CUBE files and do the 
> multiplication by VESTA.
>
> Best,
> Xiaoming
>
> On Monday, September 25, 2017 at 10:44:38 AM UTC-4, Xiaoming Wang wrote:
>>
>> Hello,
>>
>> Is there a way to print the spin density for each MO?
>>
>> Best,
>> Xiaoming
>>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20170925/abce7788/attachment.htm>


More information about the CP2K-user mailing list