[Pw_forum] neb

[zhaohscas]

>The first column gives the position along the reaction coordinate while the
>second column gives the energy difference between the first image and the
>images corresponding to the position. Note that this is obtained by doing an
>interpolation.

Which type of interpolation method should be taken in order to obtain *good* values of these?

----------------
Sincerely yours,
Hongsheng Zhao <zhaohscas at yahoo.com.cn> 
Xinjiang Technical Institute of Physics and Chemistry
Chinese Academy of Sciences

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