Printing MO eigenvalues

[Matt W]

Hi,

seems you're a victim of some not fully synchronized algorithms in the code.

"Controls the printing of the molecular orbitals.Note that this is only 
functional with diagonalization based methods, in particular not with OT 
(see MO_CUBES)"

Turn OT off. Or try pdos or MO_CUBES in the print section of DFT.

Matt

On Wednesday, May 23, 2012 3:55:53 PM UTC+1, Peter Tentscher wrote:
>
> Dear all, 
>
> I'm trying to get MO eigenvalues from a GPW calculation. 
> I tried using the following 
> &PRINT 
> &MO MEDIUM 
>      EIGENVALUES 
> &END MO 
> &END PRINT 
> inside the &DFT section. 
>
> This does print MO eigenvalues, but they're all 0. 
> Is this not the way to get MO eigenvalues? 
> Any pointer to where I can find the appropriate information 
> will be warmly welcomed. 
>
> I'm also attaching a complete sample input file, in case the 
> problem lies somewhere else. 
>
> Best, 
>
> Peter 
>
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