| 6:30:05 AM PDT - Sun, Mar 16th 2014 |
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| Actually, in my geometry hole1 and hole2 there are 52 atoms, I delete some for short. They are all with a charge, I used the charged atomic density guess. I have another problems when runing the nwchem. The out put are some "et.aoints.01, et.aoints.02........et.aoints.15". They are very large, each of it about 7G and I do not know the role of them. How can I set in the input file so they will vanish. I only need the output file. Thank you very much.
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