Re: Nodeless pseudopotentials

Posted by R. Lindh on June 14, 2000 at 17:04:17:

In Reply to: Nodeless pseudopotentials posted by Young-Kyu Han on June 09, 2000 at 08:43:14:

Hi,
nodeless ECPs can in version 4 only be used directly, i.e.
you will need a special program to sneak you ECPs in via the
spectrally resolved operator. In version 5 we will provide
libraries for the most common nodeless ECPs (Hay-Wadt, Stoll-Dolg).
Version 5.0 will go on beta this summer so ver. 5 should be
available early fall.

-roland

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: Hi, : nodeless ECPs can in version 4 only be used directly, i.e. : you will need a special program to sneak you ECPs in via the : spectrally resolved operator. In version 5 we will provide : libraries for the most common nodeless ECPs (Hay-Wadt, Stoll-Dolg). : Version 5.0 will go on beta this summer so ver. 5 should be : available early fall. : -roland