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using-gaussian-do-ccsd-calculation.html
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using gaussian do ccsd calculation
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<p>a bash script for gaussian ccsd calculation. Cube files are generated from cc density for bader analysis. pseudopotential and basis set are input manually the data are got from EMSL database.</p>
<p>The files(<a href="./codes/cal.sh">cal.sh</a>, <a href="./codes/cubegen.in">cubegen.in</a>, <a href="./codes/nacl_com.sh">nacl_com.sh</a>,<a href="./codes/nacl_submit.sh">nacl_submit.sh</a>)</p>
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