<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;font-size:12pt"><div>Dear QE users</div><div><br></div><div style="color:rgb(0, 0, 0);font-size:16px;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;background-color:transparent;font-style:normal;">I
have doing vc-relax process of my system, when SCF process, the
calculation is not converge after all. I think the problem is on the
mixing-beta value. (input and output file are attached)<br></div><div style="color:rgb(0, 0, 0);font-size:16px;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;background-color:transparent;font-style:normal;">my question is how to get the suitable value of mixing_beta for mine or any system without doing try and error calculation???<br></div><div style="color:rgb(0, 0, 0);font-size:16px;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;background-color:transparent;font-style:normal;"><br></div> <span id="yiv4852032365result_box" class="yiv4852032365short_text"><span style="background-color:rgb(255, 255, 255);" title="setiap jawaban sangat dihargai">any response is greatly appreciated<br><br><br>Ganjar Kurniawan<br></span></span></div></body></html>