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For a molecule of high number of heavy atoms (around 100 Germanium like atoms) what is the appropriate basis set that can sustain reasonable accuracy in comparison with experiment and reasonable...
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As an example, a molecular orbital calculation job takes one day (24 hours) on an i7 four core personal computer, what is the time it takes on a specific supercomputer?
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I tried with no success to perform frequency calculations of a periodical system using Gaussian 09 program. If this is not possible, is there any other program that can perform this task?
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