<div dir="ltr">Hi,<br><br>please, check this posting <a href="https://groups.google.com/forum/#!topic/cp2k/rJ4XVGT026A">https://groups.google.com/forum/#!topic/cp2k/rJ4XVGT026A</a> concerning the new URL and the CP2K input manual section <br><a href="http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/SUBSYS/KIND/DFT_PLUS_U.html#list_U_RAMPING">http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/SUBSYS/KIND/DFT_PLUS_U.html#list_U_RAMPING</a> and the keyword SMEAR in its subsection ENFORCE_OCCUPATION concerning the FOUR method.<br><br>Best regards,<br><br>Matthias<br><br>Am Freitag, 11. April 2014 14:11:49 UTC+2 schrieb mohamed khuili:<a href="https://groups.google.com/forum/#!topic/cp2k/rJ4XVGT026A"></a><blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr"><span lang="en"><span>Dear Mr</span> <span>Matthias</span> <span>Krack</span>, and </span>Mr Jeremy Rabone<br><span lang="en"><span>I</span> <span>read your article</span> <span>several times</span><span>,</span> <span>"A</span> <span>procedure</span> <span>for</span> <span>bypassing</span> <span>metastable</span> <span>states</span> <span>in</span> <span>local</span> <span>BASIS</span> <span>DFT</span> <span>+ U</span> <span>calculations</span> <span>set</span> <span>and Its</span> <span>Application</span> <span>to</span> <span>uranium</span> <span>dioxide</span> <span>surfaces</span><span>"</span> <br><span>I</span> <span>study</span> <span>a zinc oxide</span> <span>and I ask you</span> <span>to explain to me</span> <span>two</span> <span>things</span><span>:</span> <br><span>-F-</span><span>occupation</span> <span>smearing</span> <span>and</span> <span>U-</span><span>ramping</span> <span>(</span><span>FOUR)</span><span>:</span> (how to do the same)<br><span>-</span> <span>How to access this</span> <span>link from your</span> <span>arcicle</span> <span>"</span><span><a href="http://people.web.psi.ch" target="_blank" onmousedown="this.href='http://www.google.com/url?q\75http%3A%2F%2Fpeople.web.psi.ch\46sa\75D\46sntz\0751\46usg\75AFQjCNH19ReU6hMoRoupC4hao0yD8XN2jA';return true;" onclick="this.href='http://www.google.com/url?q\75http%3A%2F%2Fpeople.web.psi.ch\46sa\75D\46sntz\0751\46usg\75AFQjCNH19ReU6hMoRoupC4hao0yD8XN2jA';return true;">people.web.psi.ch</a></span> <span>/</span> <span>krack</span> <span>/</span> <span>potentials.html</span><span>"</span> <br><span>My greetings</span></span></div></blockquote></div>