[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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