Spin density for each MO

Xiaoming Wang wxia... at gmail.com
Tue Sep 26 01:15:42 UTC 2017


Hi Matt,

Thanks you.

Best,
Xiaoming

On Monday, September 25, 2017 at 8:56:41 PM UTC-4, Matt W wrote:
>
> 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
>>>
>>
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