<div dir="ltr">dear Li,<div><br></div><div style>please try to use <span style="font-size:14px;line-height:23px">alpha_mix(1)=0.2 or 0.3</span></div><div style><span style="font-size:14px;line-height:23px">they are both ok.</span></div>
<div class="gmail_extra"><br><br><div class="gmail_quote">2013/4/30 李晓川 <span dir="ltr"><<a href="mailto:18733462676@163.com" target="_blank">18733462676@163.com</a>></span><br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div style="line-height:1.7;font-size:14px;font-family:arial">Thanks,but is there only one parameter can be changed ? Is there any other parameters? <div>which value of  is the most smallest alpha_mix(1)  that is effective ?</div>
<div><div class="h5"><div><br><br><br><br><div></div><div></div><br>At 2013-04-29 17:28:05,"GAO Zhe" <<a href="mailto:flux_ray12@163.com" target="_blank">flux_ray12@163.com</a>> wrote:<br> <blockquote style="PADDING-LEFT:1ex;MARGIN:0px 0px 0px 0.8ex;BORDER-LEFT:#ccc 1px solid">
<div style="line-height:1.7;font-size:14px;font-family:arial">First of all, please make sure that the model you computed has been fully relaxed. Then, while the model was big, the lower alpha_mix(1), default as 0.7, may be helpful for the SCF convergence during ph.x process.<br>
<br><div>--<br><div>GAO Zhe, Dr., 
<div>Research Engineer, Quartz,</div>
<div>Saint-Gobain Research (Shanghai),</div>
<div>No. 55, Wenjing-road, Minhang-district, Shanghai, China</div></div></div><div></div><br>At 2013-04-29 09:47:18,"李晓川" <<a href="mailto:18733462676@163.com" target="_blank">18733462676@163.com</a>> wrote:<br>
 <blockquote style="PADDING-LEFT:1ex;MARGIN:0px 0px 0px 0.8ex;BORDER-LEFT:#ccc 1px solid"><div style="line-height:1.7;font-size:14px;font-family:arial"><div>dear all</div>
<div>       when I computed the scf of phonon,the convergnece is always not attained,I tried changing the "tr2_ph" and "alpha_mixing" to accelarate the speed of convergnece ,But the results is not ideal.So i want to know what can i do to perform the convergence of phonon.e.g.which parameters can be changed ?</div>

<div> </div>
<div>      </div></div><br><br><span title="neteasefooter"><span><div><div style="border-top:#cccccc 1px solid;padding:10px 5px;font-size:12px;color:#666;line-height:22px">来自网易手机号码邮箱<a href="http://shouji.163.com" style="color:#0000ff" target="_blank">了解更多</a></div>
</div>
</span></span></blockquote></div><br><br><span title="neteasefooter"><span></span></span></blockquote></div></div></div></div><br><br><span title="neteasefooter"><span><div><div style="border-top:#cccccc 1px solid;padding:10px 5px;font-size:12px;color:#666;line-height:22px">
来自网易手机号码邮箱<a href="http://shouji.163.com" style="color:#0000ff" target="_blank">了解更多</a></div></div>
</span></span><br>_______________________________________________<br>
Pw_forum mailing list<br>
<a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
<a href="http://pwscf.org/mailman/listinfo/pw_forum" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><br></blockquote></div><br><br clear="all"><div><br></div>-- <br>------------------------------------------------------------------------------------------------------------<div>
Yue-Wen FANG, PhD candidate<br><div><a href="http://clpm.ecnu.edu.cn/" style="font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)" target="_blank">Key Laboratory of Polar Materials and Devices, Ministry of Education</a><br style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)">
<div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)"><a href="http://www.ecnu.edu.cn/english/" target="_blank">East China Normal University</a> </div><div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)">
Phone: +86-18321726131</div><div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)">I will persist until I succeed!</div></div><div><br></div><div><br></div></div>
</div></div>