[CP2K-user] [CP2K:18340] Creating a guess structure for MOF for optimization on CP2K

[Anton Lytvynenko]

Hi,

probably you've got the same issue: 
https://groups.google.com/g/cp2k/c/N9PCXBoL8ao/m/ahOJfQjsCQAJ

Yours,

Anton

17.01.2023 17:14, 'Kusum Kumari' via cp2k пише:
> Hi all,
> I am actually a new user to CP2K software, i just wanted to optimize 
> the NU-1000 mof on CP2K, i have used material studio to create my 
> guess structure however, after submitting job ,it gives following error:
>
>  GEOMETRY wrong or EMAX_SPLINE too small!
>
> I am attaching my input file, kindly suggest.Thanks in advance.
>
>
>
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