<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:14px"><div id="yui_3_16_0_1_1423841162708_8335">Dear WIEN2k developers and users,</div><div id="yui_3_16_0_1_1423841162708_8278" dir="ltr">Hi,<br></div><div dir="ltr" id="yui_3_16_0_1_1423841162708_8249">I am inquiring about the possibility of describing with WIEN2K a doped <br style="" class="">system by varying the total number of electrons (NE) while keeping the <br style="" class="">system neutral.<br style="" class="">In particular I found in the web that the electron number can be <br style="" class="">varied by changing the parameter NE in the file case.in2 and by setting +1 <br style="" class="">or -1 in the file case.inm .<br style="" class="">The question is: Does this procedure merely increment the NE leaving the <br style="" class="">system charged because of an unbalanced NE or a corresponding background <br style="" class="">charge is (or can be) introduced to balance the changed NE to leave the <br style="" class="">system neutral?</div><div id="yui_3_16_0_1_1423841162708_8313" dir="ltr">Your help is highly appreciated.</div><div id="yui_3_16_0_1_1423841162708_8312" dir="ltr">With best regards</div><div id="yui_3_16_0_1_1423841162708_8311" dir="ltr">Mohammed<br></div><div style="" class="" id="yui_3_16_0_1_1423841162708_8212"><br style="" class=""></div></div></body></html>