GEOMETRY wrong or EMAX_SPLINE too small!
henri... at gmail.com
Mon Jul 20 00:55:42 CEST 2015
Dear Matt, looks like you're right. After changing my lattice parameters to
a arbitrary value like 10.0 10.0 10.0 the error was fixed. I'll have to
take a closer look at my parameters.
Em sexta-feira, 17 de julho de 2015 17:01:18 UTC-3, Henrique Junior
> Doing my first steps with cp2k I've bumped in this error: GEOMETRY wrong
> or EMAX_SPLINE too small! (files attached).
> My intention is to use cp2k to calculate the magnetic coupling in solid
> state between two coppers (by evaluating different possible distances of
> Cu-Cu interactions).
> (I'm not trying broken symmetry yet, this is just my first attempt).
> Thanks in advance
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