<html><head></head><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;font-size:16px"><div id="yui_3_16_0_ym19_1_1462648675723_6423"><div id="yui_3_16_0_ym19_1_1462648675723_6508"> Dear QE user</div><div id="yui_3_16_0_ym19_1_1462648675723_6506">I wish to study band gap variation after applying electric field on a monolayer of TMDC (Lets say MoS2)</div><div id="yui_3_16_0_ym19_1_1462648675723_6669">My question is .......when should i use these</div><div dir="ltr" id="yui_3_16_0_ym19_1_1462648675723_6683">edir = 3, emaxpos = 0.5d0, eopreg = 0.1d0, eamp = 0.001,tefield = .true.</div><div id="yui_3_16_0_ym19_1_1462648675723_6502"><b id="yui_3_16_0_ym19_1_1462648675723_6663"><br></b></div><div id="yui_3_16_0_ym19_1_1462648675723_6691"><b id="yui_3_16_0_ym19_1_1462648675723_6663">Do i need to relax by using these parameters, and then use scf,nscf as usual (without these) OR <br></b></div><div id="yui_3_16_0_ym19_1_1462648675723_6648"><b id="yui_3_16_0_ym19_1_1462648675723_6665">Use these paprameters directly in scf (without relax) and then proceed as usual.</b><br></div><div id="yui_3_16_0_ym19_1_1462648675723_6645" dir="ltr"><br></div><div id="yui_3_16_0_ym19_1_1462648675723_6623" dir="ltr">Which one of the above mentioned is correct ?</div><div id="yui_3_16_0_ym19_1_1462648675723_6725" dir="ltr">Anxiously Waiting for comments</div><div id="yui_3_16_0_ym19_1_1462648675723_6783" dir="ltr">Best Wishes</div><div id="yui_3_16_0_ym19_1_1462648675723_6837" dir="ltr">-----------------------------------------------------------------------------------------------------------------<br></div><div id="yui_3_16_0_ym19_1_1462648675723_6726" dir="ltr">Sohail Ahmad</div><div id="yui_3_16_0_ym19_1_1462648675723_6838" dir="ltr">King Khalid University <br></div><div id="yui_3_16_0_ym19_1_1462648675723_6840" dir="ltr">Abha, Saudi Arabia<br></div></div></div></body></html>