[Pw_forum] k_max and k_min
akohlmey at cmm.chem.upenn.edu
Tue Dec 25 15:59:07 CET 2007
dear lihui ou,
please consider handling one problem at a time
and not everything at the same time. based on your
recent questions, i strongly advise to first work on
your understanding of the elementary principles
of the kind of calculations you want to do.
this will then help you to understand a _lot_ of the
problems you have currently without having to ask
somebody as well as being able to comprehend
responses to your more advanced questions.
although it seems (to many) a very convenient
solution to fire a lot of questions to a user forum
or a mailing list and it may even work for a while,
but you also have to consider that you'll be wearing
out people quickly and on top of that make them even
less responsive to other people with equally legitimate
to cut a long story short. please be considerate in
what you ask and show people that you are willing
to do your part in understanding what you are doing.
this will be a help to everybody including yourself.
thanks and best regards,
On 12/25/07, oulihui666 <oulihui666 at 126.com> wrote:
> Dear all,
> I want to ask a problem, when calculating NEB, we will set k_max and
> k_min, is there any principles about the settings of k_max and k_min in
> different systems? I need your help.
> Many thanks
> Lihui Ou
> Lihui Ou
> PH.D Candidate in Electrochemistry
> College of Chemistry and Molecular Science
> Wuhan University,430072,Hubei Province,China
> E-mail:oulihui666 at 126.com
> Pw_forum mailing list
> Pw_forum at pwscf.org
Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu
Center for Molecular Modeling -- University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425
If you make something idiot-proof, the universe creates a better idiot.
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