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#1 2016-12-09 10:40:27

abid
Member
Registered: 2015-11-12
Posts: 41

Spin density

Dear all
How can I plot spin density in MOLCAS, I mean in order plot Total density we use GRID_IT with all using RasOrb for example. But how can I plot spin density?
Thank you very much.

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#2 2016-12-09 11:20:07

Ignacio
Administrator
From: Uppsala
Registered: 2015-11-03
Posts: 1,085

Re: Spin density

You use the .SpdOrb.n file for the state of interest.

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