<div dir="ltr">Dear Developers,<div><br></div><div>I am trying to do DOS calculations for graphite with d-space 3.35 angstrom and this has 6 layers.</div><div><br></div><div>However, It gave a error which shows below.</div><div><br></div><div><br> *******************************************************************************<br> *   ___                                                                       *<br> *  /   \                                                                      *<br> * [ABORT]                                                                     *<br> *  \___/    Cholesky decompose failed: the matrix is not positive definite or *<br> *    |                              ill-conditioned.                          *<br> *  O/|                                                                        *<br> * /| |                                                                        *<br> * / \                                                  fm/cp_fm_cholesky.F:94 *<br> *******************************************************************************<br><br><div>Herewith, I have attached my input file for your reference. Can anyone explain me the reason for this error and suggest a solution to solve this problem?</div><div><br></div><div>I am very grateful for your help.</div>-- <br><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><font color="#073763">Thank you,</font></div><div dir="ltr"><font color="#073763"><br></font></div><div><font color="#073763">Best Regards,</font></div><div><font color="#073763"><br></font></div><div><font color="#073763">Nimali</font></div><div dir="ltr"><font color="#073763"><br></font><div><span style="background-color:rgb(255,255,255)"><font color="#674ea7"><br></font></span></div></div></div></div></div></div></div></div></div></div></div>