<div dir="ltr"><div dir="ltr"><div>Hi everyone,</div><div>                    I am very
 new as a QE user. I am wondering if anyone can suggest me a direction to 
get rid of this error. I am running a scf calculation with blyp and LSDA
 flag on. After few iteration steps the job is stopping with this error.
 <br></div><div><br></div><div>Please show me some direction. I can send the input/output if needed.<br></div><div><br></div><div><span style="color:rgb(204,0,0)">%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</span></div><span style="color:rgb(204,0,0)">     Error in routine  cdiaghg (856):<br>      problems computing cholesky<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br>     stopping ...<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     Error in routine  cdiaghg (856):<br>      problems computing cholesky<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br></span><div><span style="color:rgb(204,0,0)">     stopping ...</span></div><div><br></div><div>Best regards</div><div>Chandrima<div class="gmail-yj6qo"></div><div class="gmail-adL"><br><br></div></div></div><br><br><br></div>