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<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'>Dear Wien2k users, <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'>I was trying to volume optimize (some 5 structure changes, 4 atoms per lattice)
a cubic case with the command in the optimize.job<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'>Runsp_lapw –cc 0.0001 –ec 0.0001 –i 90 –so –p
<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'>However, in one or two cases, the SCF did not converge. What changes
could be made keeping the same accuracy of charge and energy convergence. <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'><o:p> </o:p></span></font></p>
<p class=MsoNormal><st1:GivenName w:st="on"><font size=2 face="Times New Roman"><span
style='font-size:10.0pt'>SUDDHASATTWA</span></font></st1:GivenName><font
size=2><span style='font-size:10.0pt'> <st1:Sn w:st="on">GHOSH</st1:Sn> </span></font><o:p></o:p></p>
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