<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 do 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> <div id="gt-res-content" class="almost_half_cell"><div dir="ltr" style="zoom:1"><span id="result_box" class="short_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>Energy and Environment Material Laboratory<br>Bandung Institute of Technology<br><br></span></span></div></div></div></body></html>