[CP2K-user] Problems Running Cu geometry optimization using GAPW method.

Lucas Bandeira bandeir... at gmail.com
Fri Jul 9 14:53:11 UTC 2021


Dear cp2k community,

I have some problems optimizing the geometry of a Cu slab using the GAPW
method. The SCF cycle does not converge. I have managed to perform the same
optimization using the GPW method, but I have to use the GAPW method
because of the all electrons basis set for the adsorbates. Could somebody
help me with this problem? Attached is the input file I used and the
respective output file.

Yours faithfully,

Lucas Bandeira
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