[molpro-user] Molden plot/dump of all localized orbitals

[Peter Burger]

Hi Tatiana,

that's bad news, which I noted myself.  Is there a was to change this? 
It would come in handy for the active space
assignment - in my case (double shell) 4d orbitals for a 3d system which 
are "spread all over the place".

Cheers

Peter

Am 16.09.2016 um 16:56 schrieb Tatiana Korona:
> Hi, Peter,
>
> Only occupied orbitals are localized. Unoccupied are just projected 
> atomic orbitals (PAOs).
>
> Best wishes,
>
> Tatiana
>
> On Thu, 25 Aug 2016, Peter Burger wrote:
>
>> Hello,
>>
>> I habe localized orbitals including those which are not occupied. I 
>> then tried to inspect them visually from a molden file.
>> It seems though, however, that Molden dumps only the occupied 
>> orbitals, is there a way to overcome this?
>>
>> Many thx in advance
>>
>> Peter
>>
>> -- 
>> Univ.-Prof. Dr. Peter Burger
>> Institut fuer Anorganische und Angewandte Chemie
>> Universitaet Hamburg
>> Martin-Luther-King-Platz 6
>> D-20146 Hamburg
>> Tel.:+49 040 42838 3662
>> FAX                6097
>> email: burger at chemie.uni-hamburg.de
>> http://www.chemie.uni-hamburg.de/ac/burger/index.html
>>
>>
>> _______________________________________________
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>>
>
> Dr. Tatiana Korona http://tiger.chem.uw.edu.pl/staff/tania/index.html
> Quantum Chemistry Laboratory, University of Warsaw, Pasteura 1, 
> PL-02-093 Warsaw, POLAND
>
>


-- 
Univ.-Prof. Dr. Peter Burger
Institut fuer Anorganische und Angewandte Chemie
Universitaet Hamburg
Martin-Luther-King-Platz 6
D-20146 Hamburg
Tel.:+49 040 42838 3662
FAX                6097
email: burger at chemie.uni-hamburg.de
http://www.chemie.uni-hamburg.de/ac/burger/index.html