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Pages: 1

#1 2016-11-22 10:56:30

felixp
Member
Registered: 2015-11-06
Posts: 27
Website

[SOLVED] Transforming MO symmetry

Hi,

Is there an easy way to transform the MOs from a higher symmetry to a lower symmetry?

I tried using penny. But somehow this does not work for me.

Thanks,
Felix

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#2 2016-11-22 11:45:54

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

Re: [SOLVED] Transforming MO symmetry

ExpBas with the Desymmetrize keyword?

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#3 2016-11-22 13:53:52

felixp
Member
Registered: 2015-11-06
Posts: 27
Website

Re: [SOLVED] Transforming MO symmetry

Thanks! That seems to work.

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