<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><span class="Apple-style-span" style="font-family: arial; font-size: 14px; line-height: 16px; background-color: rgb(255, 255, 255); "><font class="Apple-style-span" face="'times new roman', 'new york', times, serif">Dear Wien2k users</font></span><div style="font-family: arial; font-size: 10pt; "><font class="Apple-style-span" face="'times new roman', 'new york', times, serif"><span class="Apple-style-span" style="font-size: 14px; line-height: 16px;"><br></span></font></div><div style="font-family: arial; font-size: 10pt; "><span class="Apple-style-span" style="font-family: monospace; font-size: 14px; line-height: 16px; background-color: rgb(255, 255, 255); ">I am trying to perform the electron density calculation of HoAl2 with LSDA.&nbsp;</span><span class="Apple-style-span" style="font-family: monospace; font-size: 14px; line-height: 16px; background-color:
 rgb(255, 255, 255); ">I got the convergence with structure file, but not success to plot the electron density.</span></div><div style="font-family: arial; font-size: 10pt; "><span class="Apple-style-span" style="font-size: 14px; line-height: 16px; "><font class="Apple-style-span" face="monospace"><br></font></span></div><div style="font-family: arial; font-size: 10pt; "><span class="Apple-style-span" style="font-size: 14px; line-height: 16px; "><font class="Apple-style-span" face="monospace">Structure file of HoAl2<br></font></span></div><div><font class="Apple-style-span" face="monospace"><span class="Apple-style-span" style="font-size: 14px; line-height: 16px;"><br></span></font></div><div><font class="Apple-style-span" face="monospace"><p class="MsoPlainText" style="font-size: 14px; line-height: 16px;
 ">HoAl2<span>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
</span><br>
F<span>&nbsp;&nbsp; </span>LATTICE,NONEQUIV.ATOMS:<span>&nbsp; </span>2227_Fd-3m<span>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span><br>
MODE OF CALC=RELA unit=ang<span>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
</span><br>
<span>&nbsp;</span>14.770105 14.770105 14.770105 90.000000
90.000000 90.000000<span>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span><br>
ATOM<span>&nbsp;&nbsp; </span>1: X=0.12500000 Y=0.12500000
Z=0.12500000<br>
<span>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>MULT= 2<span>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>ISPLIT= 2<br>
<span>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span><span lang="PT-BR">1: X=0.87500000 Y=0.87500000 Z=0.87500000<br>
Ho<span>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>NPT=<span>&nbsp; </span>781<span>&nbsp;
</span>R0=0.00001000 RMT=<span>&nbsp;&nbsp;&nbsp; </span>2.5000<span>&nbsp;&nbsp; </span>Z: 67.0<span>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span><br>
</span><span lang="FR">LOCAL ROT MATRIX:<span>&nbsp;&nbsp;&nbsp; </span>1.0000000 0.0000000 0.0000000<br>
<span>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>0.0000000 1.0000000
0.0000000<br>
<span>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>0.0000000 0.0000000
1.0000000<br>
ATOM<span>&nbsp; </span>-2: X=0.50000000 Y=0.50000000
Z=0.50000000<br>
<span>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>MULT= 4<span>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>ISPLIT= 4<br>
<span>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>-2: X=0.50000000 Y=0.75000000
Z=0.75000000<br>
<span>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>-2: X=0.75000000 Y=0.75000000
Z=0.50000000<br>
<span>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>-2: X=0.75000000 Y=0.50000000
Z=0.75000000<br>
Al<span>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>NPT=<span>&nbsp; </span>781<span>&nbsp;
</span>R0=0.00010000 RMT=<span>&nbsp;&nbsp;&nbsp; </span>2.5000<span>&nbsp;&nbsp; </span>Z: 13.0<span>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span><br>
</span>LOCAL ROT MATRIX:<span>&nbsp;&nbsp;&nbsp; </span>0.4082483-0.7071068
0.5773503<br>
<span>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>0.4082483 0.7071068
0.5773503<br>
<span>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>-0.8164966 0.0000000
0.5773503<br>
<span>&nbsp; </span>48<span>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
</span>NUMBER OF SYMMETRY OPERATIONS<br></p><p class="MsoPlainText" style="font-size: 14px; line-height: 16px; "><br></p><p class="MsoPlainText"><span class="Apple-style-span" style="font-size: 14px; line-height: 16px;">Give me some&nbsp;suggestions, what I need to do for this.</span></p><p class="MsoPlainText" style="font-size: 14px; line-height: 16px; "><br></p></font><span class="Apple-style-span" style="color: rgb(255, 0, 0); font-family: arial; font-size: 13px; background-color: rgb(255, 255, 255); "><strong>Hosiyar Singh Mund (09468905220)</strong></span></div><div><font style="font-size: 10pt; font-family: arial; "></font><span class="Apple-style-span" style="color: rgb(255, 0, 0); font-family: arial; font-size: 13px; background-color: rgb(255, 255, 255); "><strong>Compton Profile Lab</strong></span><font style="font-size: 10pt; font-family: arial; "><p style="color: rgb(128, 255, 0); "><span style="COLOR:#80ff00;"><font
 style="BACKGROUND-COLOR:#ffffff;" color="#ff0000"><strong>Research Scholar</strong></font></span></p><p style="color: rgb(128, 255, 0); "><span style="COLOR:#80ff00;"><font style="BACKGROUND-COLOR:#ffffff;" color="#ff0000"><strong>Dept. of Physics</strong></font></span></p><p style="color: rgb(128, 255, 0); "><span style="COLOR:#80ff00;"><font style="BACKGROUND-COLOR:#ffffff;" color="#ff0000"><strong>University College of Science</strong></font></span></p><p style="color: rgb(128, 255, 0); "><span style="COLOR:#80ff00;"><font style="BACKGROUND-COLOR:#ffffff;" color="#ff0000"><strong>ML Sukhadia University, Udaipur</strong></font></span></p></font><p class="MsoNormal" style="font-size: 10pt; font-family: arial; margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; "><font color="#80ff00"><font style="BACKGROUND-COLOR:#ff0000;" color="#000000"></font></font>&nbsp;</p></div></td></tr></table>