[CP2K-user] [CP2K:14438] MAP_CONSISTENT

[Grzegorz Wieczorek]

Hello,
Thank you, that is great to know.
Regards,
g

On Monday, December 28, 2020 at 2:07:44 PM UTC+1 jgh wrote:

> Hi
> MAP_CONSISTENT was default since a very long time. Originally, 
> this was an improvement to the accuracy of the KS Hamiltonian.
> It was slightly more expensive than the original implementation
> but the benefits (more smooth convergence) are more important.
> We believe that there was no more use for the option (to switch
> off consistent mapping) so it has been removed.
>
> regards
>
> Juerg Hutter
> --------------------------------------------------------------
> Juerg Hutter Phone : ++41 44 635 4491 <+41%2044%20635%2044%2091>
> Institut für Chemie C FAX : ++41 44 635 6838 <+41%2044%20635%2068%2038>
> Universität Zürich E-mail: h... at chem.uzh.ch
> Winterthurerstrasse 190
> CH-8057 Zürich, Switzerland
> ---------------------------------------------------------------
>
> -----c... at googlegroups.com wrote: -----
> To: "cp2k" <c... at googlegroups.com>
> From: "Grzegorz Wieczorek" 
> Sent by: c... at googlegroups.com
> Date: 12/27/2020 12:03AM
> Subject: [CP2K:14438] MAP_CONSISTENT
>
> Hi! I noticed that MAP_CONSISTENT just disappeared from the online docs, 
> which is consistent (:D) with the cp2k 8.0 dev - it does not recognise the 
> keyword. Could any of you guys provide a little of explanation, or a hint 
> how to replace it in a new input? I would be really grateful!
> Best,
> g
>
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