<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt">Dear All<br><br>I'm studying a 8 atoms supercell of Antiferromgnetic (the rare earth)<br>In runs I'm getting the problem' there is energy in SCF NOT CONVERGED <br>kGEN =150<br>kmax=9<br>gmax=14<br><br>this is my last case.inm<br><br>MSEC1 0.0 YES (BROYD/PRATT, extra charge (+1 for additional e), norm)<br>0.20 mixing FACTOR for BROYD/PRATT scheme<br>1.00 1.00 PW and CLM-scaling factors<br>9999 8 idum, HISTORY<br><br>so I must stopping the runs or what ? I repeat the calculation <span id="result_box" class="short_text" lang="en"><span class="hps"></span></span><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: times
new roman,new york,times,serif; background-color: transparent; font-style: normal;"><br></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: times new roman,new york,times,serif; background-color: transparent; font-style: normal;">what is this problem due to <span class="tab"> ?</span></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: times new roman,new york,times,serif; background-color: transparent; font-style: normal;"><span class="tab"><br></span></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: times new roman,new york,times,serif; background-color: transparent; font-style: normal;"><span class="tab">thanks</span></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: times new roman,new york,times,serif; background-color: transparent; font-style: normal;"><span class="tab"><br></span></div></div></body></html>