[CP2K-user] invalid set of cell vectors
Oriol Esquivias Bautista de Lisbona
oriol.e... at gmail.com
Thu May 2 13:44:02 UTC 2019
Hello all,
I'm trying to run a NPT_I MD, but every time I get the error:
An invalid set of cell vectors was specified. The determinant det(h) is too
small
subsys/cell_types.F:357
At first, I was trying restarting the values from the geometry
optimization, but now I'm not reading any restart file, just the
coordinates file, and the problem persists.
The error could be in the given cell vector, however it seems that CP2K can
read the coordinates, as they're written in the output file.
I don't know what is the problem, so any help will be welcome.
Regards,
Oriol
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