<DIV><FONT size=3>Dear wien2k master and Stefaan:</FONT></DIV>
<DIV><FONT size=3> During your last email, you said: The scf cycles stops when there are almost no variations of the forces left<BR>(11.13 to 11.17, much less than the requested -fc 1). <STRONG><FONT color=#ff0000>I don't understand why 11.3 is much less than -fc 1 ??</FONT></STRONG></FONT></DIV>
<DIV><FONT color=#ff0000 size=3><STRONG> </STRONG><FONT color=#000000> By the way, genrally speaking, for what FGL value should we optimize the structure ? And swate said it can find the optimized structure in </FONT><FONT color=#000000>case_struct_lastmini, I can't find this file , is it the case.scf_mini file ?</FONT></FONT></DIV>
<DIV><FONT size=3> Thanks:)</FONT></DIV>
<DIV><FONT size=3></FONT> </DIV>
<DIV><FONT size=3>Hui</FONT></DIV> <br><!-- urlfiles --><br><br><!-- footer --><br>