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Dear Colleague,<br>
<br>
Did you follow the same procedure for spin up and spin down, i.e. :<br>
<br>
x lapw2 -qtl -up -so<br>
x tetra -up<br>
<br>
x lapw2 -qtl -dn -so<br>
x tetra -dn<br>
<br>
Regards<br>
<br>
Xavier<br>
<br>
<br>
Seyed Mahdy Baizaee a écrit :
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<pre><font size="2"><i><span style=""> </span>I have run a SIC calculation with GGA+U+SO, the init_lapw and SCF have been done. </i><o:p></o:p></font></pre>
<pre><i><font size="2"><span style=""> </span>When I calculated the DOS, the spin-up of the DOS is finished <o:p></o:p></font></i></pre>
<pre><i><font size="2"><span style=""> </span>successfully, but for the spin-dn,<span
style=""> </span>run *x tetra –dn -so*, the error is :<o:p></o:p></font></i></pre>
<pre><i><font size="2">input/output 148: Invalid character<o:p></o:p></font></i></pre>
<pre><i><font size="2">in procedure :main program<o:p></o:p></font></i></pre>
<pre><i><font size="2">at line :194<o:p></o:p></font></i></pre>
<pre><i><font size="2">statement : formattted read<o:p></o:p></font></i></pre>
<pre><i><font size="2">unit:4<o:p></o:p></font></i></pre>
<pre><i><font size="2">connected to :UO2.qtl<o:p></o:p></font></i></pre>
<pre><i><font size="2">error command home/wien2k.08/tetra dntetra.def failed<o:p></o:p></font></i></pre>
<p class="MsoNormal" style="margin: 0in 0in 0pt;"><o:p> </o:p></p>
<p class="MsoNormal" style="margin: 0in 0in 0pt;"><o:p> Thanks</o:p></p>
<p class="MsoNormal" style="margin: 0in 0in 0pt;"><o:p>S.M.Baizaee</o:p></p>
<br>
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Fax: 098-391-3202148<br>
E-mail: <a moz-do-not-send="true" href="mailto:mbeizaee@yahoo.com">mbeizaee@yahoo.com</a></div>
<br>
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