<br><br>---------- Forwarded message ----------<br><span class="gmail_quote">From: <b class="gmail_sendername">samaneh javan</b> <<a href="mailto:samjavan@gmail.com">samjavan@gmail.com</a>><br>Date: Apr 15, 2007 7:42 PM
<br>Subject: lcore error<br>To: <a href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br><br></span>
<div>Dear users,</div>
<div> I started optimizing kpoints for my case(C60).Everything were ok till 343 kpoints at this number up to higher I have lcore error at first itteration .my lcore error:</div>
<div>'CORE' - NSTOP= 362 positive eigenvalue for 1S Atom: 0 C1 <br> 'CORE' - Try to apply a potential shift in case.inc </div>
<div> </div>
<div>I would not use open core, I don`t know if I shift the potential in case.inc file, there is anything wrong whit my case or not.In other word what would happen physically on my case?</div>
<div>thanks in advance for your suggestion. </div>