<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman, new york, times, serif;font-size:14pt"><DIV style="FONT-SIZE: 14pt; FONT-FAMILY: times new roman, new york, times, serif">Dear Wien users,</DIV>
<DIV style="FONT-SIZE: 14pt; FONT-FAMILY: times new roman, new york, times, serif"> I'm doing spin-polarized calculations for isolated iridium atom in a box of dimensions 12, 12, 12</DIV>
<DIV style="FONT-SIZE: 14pt; FONT-FAMILY: times new roman, new york, times, serif">there is no convergence obtained and the charge is oscillating. This is also besides the WARNING in the total energy.</DIV>
<DIV style="FONT-SIZE: 14pt; FONT-FAMILY: times new roman, new york, times, serif">Can someone tell me why do I have such a problem.</DIV>
<DIV style="FONT-SIZE: 14pt; FONT-FAMILY: times new roman, new york, times, serif"> </DIV>
<DIV style="FONT-SIZE: 14pt; FONT-FAMILY: times new roman, new york, times, serif">Thank you</DIV>
<DIV style="FONT-SIZE: 14pt; FONT-FAMILY: times new roman, new york, times, serif">Hazem</DIV></div><br>
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