<div dir="ltr">Dear CP2K user, <div><br></div><div>I have found that this issue is just caused by my mistake that use the wrong way to visualize, and now I have reproduce this example.</div><div><br></div><div>Thanks a lot.</div><div><br></div><div>Best</div><div>Timmy<br><br>在 2019年5月5日星期日 UTC+8上午11:24:52，upc...@gmail.com写道：<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr"><div>Dear community,</div><div><br></div><div>I am going to reproduce the exercise of GGA based surface science (<a href="https://www.cp2k.org/exercises:2016_summer_school:gga" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fwww.cp2k.org%2Fexercises%3A2016_summer_school%3Agga\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNFKUdtUprubsXRIjyJAkRQPuwyAfQ';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fwww.cp2k.org%2Fexercises%3A2016_summer_school%3Agga\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNFKUdtUprubsXRIjyJAkRQPuwyAfQ';return true;">https://www.cp2k.org/<wbr>exercises:2016_summer_school:<wbr>gga</a>). </div><div><br></div><div>I followed the instructions provided by the manual, and no error happened.</div><div><br></div><div>However, when I use VMD to visualize the final electron density difference (see below), which is not similar to the benchmark. My results files are uploaded as attached.</div><div><br></div><p style="text-align:center;clear:both"><img src="https://groups.google.com/group/cp2k/attach/3a849eb720d60/e.JPG?part=0.8&view=1&authuser=0" alt="e.JPG" width="297" height="320" style="margin-left:1em;margin-right:1em"></p><div><br></div><div><br></div><div>Can anyone give me help to reproduce the exercise? Any help would be highly appreciated. :-)</div><div><br></div><div>Many thanks,</div><div><br></div><div>Timmy JIN</div><div><br></div></div></blockquote></div></div>