Dear all, <div>I'm trying to run some MD, but the geometry of my system doesn't converge. I get the error:</div><div>Cholesky decompose failed: the matrix is not positive definite or ill-conditioned. </div><div>Does anyone know how I can fix this?</div><div><br></div><div>Thanks in advance,</div><div>Antun.</div>

<p></p>

-- <br />
You received this message because you are subscribed to the Google Groups "cp2k" group.<br />
To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>.<br />
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/5afc8bb6-2fff-4955-812e-f63b0fcc8ec3n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/5afc8bb6-2fff-4955-812e-f63b0fcc8ec3n%40googlegroups.com</a>.<br />