<div dir="ltr"><pre><span style="font-size:12pt;font-family:"Times New Roman","serif"" lang="EN">CCSD calculation is done with a cc-pVDZ basic set. <br>But when larger basis set is used for example (cc-pVTZ, aug-cc-pVDZ, aug-cc-pVTZ) CCSD calculation stops<br> without any error at the beginning of the program CCSD after <br>writing certain lines following:</span><span style="font-size:12pt;font-family:"Times New Roman","serif""></span></pre>

<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal;direction:ltr"><span style="font-size:9pt;font-family:"Courier New"">Length of J-op<span>  </span>integral file:<span>               </span>0.00 MB</span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal;direction:ltr"><span style="font-size:9pt;font-family:"Courier New"">Length of K-op<span>  </span>integral file:<span>               </span>7.50 MB</span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal;direction:ltr"><span style="font-size:9pt;font-family:"Courier New"">Length of 3-ext integral
record:<span>             </span>0.00 MB</span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal;direction:ltr"><span style="font-size:12pt;font-family:"Times New Roman","serif""> </span></p>

<pre><span style="font-size:12pt;font-family:"Times New Roman","serif"">I will be most grateful for any help you can give<br></span></pre><pre><span style="font-size:12pt;font-family:"Times New Roman","serif"">Best regards<br></span></pre><pre><span style="font-size:12pt;font-family:"Times New Roman","serif"">Behnaz Saed<br></span></pre><pre><span style="font-size:12pt;font-family:"Times New Roman","serif""><span class=""><font color="#888888"></font></span></span></pre></div>