<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;font-size:12pt"><div>Hi, <br></div><span id="result_box" class="" lang="en"><span class="">I found</span> <span class="">problems</span> <span class="">with</span> <span class="">starting</span>_<span class="">magnetization</span><span>, PLEASE,</span> <span class="">I want</span><span class=""></span> <span class="">answers</span> <span class="">for </span><span class="">these</span> <span class="">questions.</span> <br><span class="">1 /</span> <span class="">For a</span> <span class="">spin</span> <span class="">polarization</span> <span class="">calculations</span>, <span class="">for</span> <span class="">a molecular</span> <span class="">system</span>, <span class="">is</span> <span class="">that</span> <span class="">we must take</span> <span class="">into account</span> <span class="">all</span> <span
class="">the atoms</span> considered in our system <span class="">with</span> <span class="">starting_magnetization</span> <span class="">or</span> <span class="">just take</span> only <span class="">one?</span> <span class="">In the second</span> <span class="">case</span><span>,</span> <span class="">which</span> <span class="">atom</span> <span class="">we must choose</span> <span class="">with</span> <span class="">starting_magnetization</span><span>?</span> <br><span class="">2 /</span>Which <span class=""></span><span class=""></span><span class=""></span><span class=""></span><span class=""></span> <span class="">value</span> <span class="">of</span> <span class="">starting_magnetization</span> <span class="">we fix</span> <span class=""> (between</span> <span class="">-1 and 1)</span> <span class="">in the case of</span> <span class="">spin</span> <span class="">polarization</span> <span class="">calculations</span><span class="">, or we
need a convergence calculations to fix it.?<br>Thanks. <br>Jamil.<br></span></span></div></body></html>