<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:14px"><div dir="ltr" id="yui_3_16_0_1_1422979875453_3024">Dear WIEN2k users,</div><div id="yui_3_16_0_1_1422979875453_3071" dir="ltr">Hi,</div><div id="yui_3_16_0_1_1422979875453_3072" dir="ltr">I am trying to do interface calculations.I have built my interface without any problem.The initialization was done successfuly.When I start running the scf I got the following:</div><pre id="yui_3_16_0_1_1422979875453_3108" style="" class=""><font id="yui_3_16_0_1_1422979875453_3516" color="#9c005c"> LAPW0 END
SELECT - Error
> stop error</font><br>--------------------------------------------------------------------------------------<br></pre><pre id="yui_3_16_0_1_1422979875453_3128" style="" class=""><font id="yui_3_16_0_1_1422979875453_3352" color="#5b8828"> start (Tue Feb 3 17:10:02 CET 2015) with lapw0 (40/99 to go)
cycle 1 (Tue Feb 3 17:10:02 CET 2015) (40/99 to go)
> lapw0 (17:10:02) 18.526u 0.239s 0:18.99 98.7% 0+0k 15416+12552io 3pf+0w
> lapw1 -c (17:10:21) 0.321u 0.018s 0:00.40 82.5% 0+0k 3224+2504io 1pf+0w
> stop error
</font></pre><div style="" class="" id="yui_3_16_0_1_1422979875453_3094" dir="ltr">-------------------------------------------------------------------------------------------------------------------------------------------</div><div id="yui_3_16_0_1_1422979875453_3494" style="" class="" dir="ltr">I have checked out the lapw1.error , I found the following:<br></div><div id="yui_3_16_0_1_1422979875453_3145" style="" class="" dir="ltr"><font id="yui_3_16_0_1_1422979875453_3427" color="#70aced"><span id="yui_3_16_0_1_1422979875453_3365" style="background-color: rgb(101, 33, 145);"><font id="yui_3_16_0_1_1422979875453_3333"><br></font></span></font></div><div id="yui_3_16_0_1_1422979875453_3166" style="" class="" dir="ltr"><span id="yui_3_16_0_1_1422979875453_3348" style="background-color: rgb(101, 33, 145);"><font id="yui_3_16_0_1_1422979875453_3332" color="#fdf869"> 'SELECT' - no energy limits found for atom 7 L= 0 <br style="" class=""> 'SELECT' - E-bottom -8.58284 E-top -200.00000 </font> </span> <br style="" class="">===================================================================================</div><div id="yui_3_16_0_1_1422979875453_3476" style="" class="" dir="ltr">How can I solve this error? Your help is so appreciated.</div><div style="" class="" dir="ltr">With best regards</div><div style="" class="" dir="ltr">Mohammed<br></div><div id="yui_3_16_0_1_1422979875453_3366" style="" class="" dir="ltr"><br></div><div id="yui_3_16_0_1_1422979875453_3364" style="" class="" dir="ltr"><br style="" class=""></div><div id="yui_3_16_0_1_1422979875453_3166" style="" class="" dir="ltr"><br style="" class=""></div></div></body></html>