[CP2K-user] [CP2K:16141] N2_cell_optimization

[sumit agrawal]

Hii,

I am trying to optimize the n2 lattice in cp2k using the GAPW method. My
outer SCF steps are 20 and max scf iteration is 400. Now my calculation is
in step 20 and it doesn't seem to converge yet. Should I increase both
the values or Is there any issue in my input file?  I have attached the
input and output files.

Can anybody suggest how I can resolve this?

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