[QE-users] Error in routine cdiaghg (1): problems computing cholesky

[Lorenzo Paulatto]

> Anyway: in this case the input does not seem to be problematic in the sense that there are too close atoms, but the structure is clearly unphysical.
In this case, a relax calculation starting from an unphysical structure can lead to a problematic structure after a couple of iterations.
--
Lorenzo Paulatto - Paris
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