Re: help

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Re: help

From: Henning Heiberg-Andersen <Henning.Heiberg-Andersen_at_email.domain.hidden>
Date: Mon, 6 Sep 2004 16:11:55 +0200 (CEST)

Hi,

If you have not specified any input symmetry, an orbital will be denoted as
for example "A%23", where "A" means the irreducible (basis set) to which
the orbital belong, which in this case is the Asymmetric one. The number
gives the (energy) level ordering, and ADFview plots the density surface
of the choosen orbital.

Best regards,

Henning Heiberg-Andersen

On 17 Aug 2004, DingWang Yuan wrote:

> Dear all,
>
> what's the unit of the number of isosurface in the ADFVIEW ?
>
> Thanks a lot
> Mr. Ding-Wang Yuan
> Key Laboratory of Materials Physics,
> Institute of Solid State Physics,
> Academia Sinica, P.O.Box 1129,
> Hefei 230031,P.R.~China
> Tel :0086-551-5591464(Office)
> 0086-551-5592837(Home)
> Fax :0086-551-5591434
>
>
Received on 2004-09-06 16:12:17

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