<html><body><div style="color:#000; background-color:#fff; font-family:arial, helvetica, sans-serif;font-size:10pt"><div><br><br></div><div><span>Hi dear wien2k users and dear P. Blaha<br></span></div><div>
I am just struck with error. i am using an external electric field and
during run_lapw it gives CORE error. when i opend the error file, it
gives a message like <br>_________________________________________<br> 'CORE' - NSTOP= 362 positive eigenvalue for 3S Atom: 0 Zn1 <br> 'CORE' - Try to apply a potential shift in case.inc <br>______________________________________________<br></div><div><br></div><div class="yui_3_7_2_42_1374128687969_77" style="color:rgb(0, 0, 0);font-size:13.3333px;font-family:arial, helvetica, sans-serif;background-color:transparent;font-style:normal;">my case.in0 is this.<br><br>___________________________________________</div><div>TOT 13 (5...CA-LDA, 13...PBE-GGA, 11...WC-GGA)<br>NR2V IFFT (R2V)<br> 40 40
40 2.00 1 min IFFT-parameters, enhancement factor, iprint<br>30 100.0 (#of FK in E-field expansion, EFELD (Ry)<br>_______________________________________________</div><div class="yui_3_7_2_42_1374128687969_78" style="color:rgb(0, 0, 0);font-size:13.3333px;font-family:arial, helvetica, sans-serif;background-color:transparent;font-style:normal;">Please help in removing thiss error.<br></div><br>Regards: <br>Yasir Ali<div> </div><div><br><br><br><br></div><div><br>Regards: <br>Yasir Ali<br><br></div></div></body></html>