<p>
<span id="result_box" lang="en"><span class="hps">hello,</span><br />
<span class="hps">I want to make</span> <span class="hps">a</span> <span
class="hps">CIS</span> <span class="hps">calculation</span><span>, and
when I</span> <span class="hps">added</span> <span class="hps">the
option''</span> <span class="hps">THRESH</span><span>,</span>
<span class="hps">PRINTCI</span> <span class="hps">=
0.0001</span><span>''</span> <span class="hps">printed</span>
<span class="hps">for</span> <span class="hps">every</span> <span
class="hps">transition</span> <span class="hps">with a</span> <span
class="hps">greater than</span> <span class="hps">0.0001</span> <span
class="hps">coef</span><span>, it</span> <span class="hps">does not
print</span> <span class="hps">all</span> <span class="hps">the</span>
<span class="hps">transistion</span> <span class="hps">however,
only</span> <span class="hps">50</span> <span class="hps">premeir</span>
<span class="hps">grans</span> <span class="hps">who are more</span>
<span class="hps">than this,</span> <span class="hps">my</span> <span
class="hps">qustion</span> <span class="hps">that</span> <span
class="hps">there</span> <span class="hps">are</span> <span
class="hps">as</span> <span class="hps">an option</span> <span
class="hps">for</span> <span class="hps">CIS</span> <span
class="hps">increased the number of</span> <span
class="hps">transition</span> <span class="hps">printed</span> <span
class="hps">my</span> <span class="hps">input</span><span>'re</span>
<span class="hps">down</span><br />
<span class="hps atn">{</span><span>cis</span> <span
class="hps">-11</span><span>,</span> <span class="hps">trans =</span>
<span class="hps">2</span><br />
<span class="hps">orbital</span><span>,</span> <span
class="hps">2140.2</span><br />
<span class="hps">THRESH</span><span>,</span> <span
class="hps">PRINTCI</span> <span class="hps">= 0.0001</span><br />
<span class="hps">occ</span><span>, 74</span><br />
<span class="hps">wf</span><span>,</span> <span
class="hps">148,1,0</span><span>;</span><br />
<span class="hps">}</span></span></p>
<p>
</p>