<html><head></head><body><div style="font-family:Helvetica Neue, Helvetica, Arial, sans-serif;font-size:16px;"><div style="font-family:Helvetica Neue, Helvetica, Arial, sans-serif;font-size:16px;"><div><div>Respected Peter Blaha and wien2k users</div><div><br></div><div>I am working on 30 atom structure with no symmetry present. when i am trying to calculate d states splitting for Ru with following case.inq file (x qtl -band -up)<br></div><div><span>-9.0 3.0 Emin Emax<br> 30 number of atoms<br> 1 -2 0 0 iatom,qsplit,symmetrize,locrot<br>4 0 1 2 3 nL, l-values<br> 2 -2 0 0 iatom,qsplit,symmetrize,locrot<br>4 0 1 2 3 nL, l-values<br> 3 -2 0 0 iatom,qsplit,symmetrize,locrot<br>4 0 1 2 3 nL, l-values<br> 4 -2 0 0 iatom,qsplit,symmetrize,locrot<br>4 0 1 2 3 nL, l-values<br> 5 -2 0 0 iatom,qsplit,symmetrize,locrot<br>4 0 1 2 3 nL, l-values<br> 6 -2 0 0 iatom,qsplit,symmetrize,locrot<br>4 0 1 2 3 nL, l-values<br> 7 2 1 2 iatom,qsplit,symmetrize,locrot<br>3 0 1 2 nL, l-values<br>-0.6795 -0.2185 0.1643<br>-.1921 0.517 -0.1568<br> 8 -2 0 0 iatom,qsplit,symmetrize,locrot<br>2 0 1 nL, l-values<br> 9 -2 0 0 iatom,qsplit,symmetrize,locrot<br>2 0 1 nL, l-values<br> 10 -2 0 0 iatom,qsplit,symmetrize,locrot<br>2 0 1 nL, l-values<br> 11 2 1 2 iatom,qsplit,symmetrize,locrot<br>3 0 1 2 nL, l-values<br>-0.2203 -0.7218 -0.1529<br>-0.4813 -0.1829 -0.1806<br> 12 2 1 2 iatom,qsplit,symmetrize,locrot<br>3 0 1 2 nL, l-values<br>0.6715 0.4586 -0.1752<br>-0.220 -0.7217 -0.1528<br> 13 -2 0 0 iatom,qsplit,symmetrize,locrot<br>2 0 1 nL, l-values<br> 14 -2 0 0 iatom,qsplit,symmetrize,locrot<br>2 0 1 nL, l-values<br> 15 -2 0 0 iatom,qsplit,symmetrize,locrot<br>2 0 1 nL, l-values<br> 16 -2 0 0 iatom,qsplit,symmetrize,locrot<br>2 0 1 nL, l-values<br> 17 -2 0 0 iatom,qsplit,symmetrize,locrot<br>2 0 1 nL, l-values<br> 18 -2 0 0 iatom,qsplit,symmetrize,locrot<br>2 0 1 nL, l-values<br> 19 -2 0 0 iatom,qsplit,symmetrize,locrot<br>2 0 1 nL, l-values<br> 20 -2 0 0 iatom,qsplit,symmetrize,locrot<br>2 0 1 nL, l-values<br> 21 -2 0 0 iatom,qsplit,symmetrize,locrot<br>2 0 1 nL, l-values<br> 22 -2 0 0 iatom,qsplit,symmetrize,locrot<br>2 0 1 nL, l-values<br> 23 -2 0 0 iatom,qsplit,symmetrize,locrot<br>2 0 1 nL, l-values<br> 24 -2 0 0 iatom,qsplit,symmetrize,locrot<br>2 0 1 nL, l-values<br> 25 -2 0 0 iatom,qsplit,symmetrize,locrot<br>2 0 1 nL, l-values<br> 26 -2 0 0 iatom,qsplit,symmetrize,locrot<br>2 0 1 nL, l-values<br> 27 -2 0 0 iatom,qsplit,symmetrize,locrot<br>2 0 1 nL, l-values<br> 28 -2 0 0 iatom,qsplit,symmetrize,locrot<br>2 0 1 nL, l-values<br> 29 -2 0 0 iatom,qsplit,symmetrize,locrot<br>2 0 1 nL, l-values<br> 30 -2 0 0 iatom,qsplit,symmetrize,locrot<br></span><div><span>2 0 1 nL, l-values</span></div><div><span><br></span></div></div><div>it give me error <br></div><div><br></div><div>ERROR: more than 25 atoms not supported</div><div>0.005u 0.038s 0.00.09 33.3% 0+0k 0+16io 0pf+0w</div><div><br></div><div>what should i do?</div><div><br></div><div>Bushra <br></div><div>UC Davis,CA<br></div><div class="ydpe24b2129signature"><font style="font-style:italic;text-decoration:underline;color:rgb(255, 0, 0);background-color:rgb(160, 64, 255);" size="3"><span style="font-family:verdana, helvetica, sans-serif;"><img src="http://mail.yimg.com/us.yimg.com/i/mesg/tsmileys2/01.gif" data-inlineimagemanipulating="true" draggable="false" class=""></span></font><hr style="width:100%;min-height:2px;"><font style="font-style:italic;text-decoration:underline;color:rgb(255, 0, 0);background-color:rgb(160, 64, 255);" size="3"><span style="font-family:verdana, helvetica, sans-serif;"></span></font></div></div></div></div></body></html>