<div style="line-height:1.7;color:#000000;font-size:14px;font-family:arial">dear all<div>       According to my trying with different software,i found that there is a large difference between relaxiation with pwscf and other software(e.g.vasp and castep),So i want to know wh ether the relaxiation of pwscf is reliable? And can  you provide some suggestions? </div></div><br><br><span title="neteasefooter"><span id="netease_mail_footer"><div id="netease_mail_footer"><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 id="mobile_set" sys="1" log=1 logid="free_sms_20120504" href="http://shouji.163.com" target="_blank" style="color:#0000FF">了解更多</a></div></div>
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