<meta http-equiv="Content-Type" content="text/html; charset=utf-8"><div dir="ltr"><div><div><div>   Dear Prof. Blaha,<br><br></div>   Thank you very much !<br></div>   All the best,<br></div>              Luis<br><br><br></div><div class="gmail_extra"><br><div class="gmail_quote">2016-06-09 10:07 GMT-03:00 Peter Blaha <span dir="ltr"><<a href="mailto:pblaha@theochem.tuwien.ac.at" target="_blank">pblaha@theochem.tuwien.ac.at</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">This is no problem.<div><div class="h5"><br>
<br>
Am 06.06.2016 um 16:16 schrieb Luis Ogando:<br>
</div></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div class="h5">
Dear Wien2k community,<br>
<br>
   I am trying to optimize a cubic structure with MSR1a and I am getting<br>
the following message in practically all the SCF cycles.<br>
<br>
:WAR   : LOPW-exhausted for atom   11 PASS 1  had to reduce check 0.010000<br>
<br>
   After checking it in the mailing list and noticing that the PASS is<br>
always 1 and that "check" is always reduced to 0.01, I believe that it<br>
is not a serious problem. Anyway, I would like to be sure. Can anyone<br>
confirm this to me ?<br>
   Please, do not hesitate in asking me more information.<br>
   Thanks in advance,<br>
                      Luis<br>
<br>
<br>
<br></div></div>
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>
Phone: <a href="tel:%2B43-1-58801-165300" value="+43158801165300" target="_blank">+43-1-58801-165300</a>             FAX: <a href="tel:%2B43-1-58801-165982" value="+43158801165982" target="_blank">+43-1-58801-165982</a><br>
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