<div>Dear CP2K community,</div><div><br /></div><div>I'd like to print to file the initial guess for the KS matrix, i.e.,  the initial one, before any SCF iteration is performed. I tried different keyword combinations in the <span>FORCE_EVAL/DFT/PRINT/KS_CSR_WRITE section but nothing gets printed if I set MAX_SCF to 0.</span></div><div><span><br /></span></div><div><span>Is there a way of writing the initial guess to file?</span></div><div><span><br /></span></div><div><span>Thank you.<br /></span></div><div><span><br /></span></div><div><span>Best,<br /></span></div><div><span>Paolo<br /></span></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/02897a74-389e-4fa9-81d0-e631cabee0f3n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/02897a74-389e-4fa9-81d0-e631cabee0f3n%40googlegroups.com</a>.<br />