Update hint6-1.md #33
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I think there is a typo in this: Pulled this into excel with the values from the other hints and got: -129.845399672522 which matches the value calculated in my code: -129.8453985210799 Could be wrong but thought it was worth putting it up as a PR in case I am correct
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maybe not per: The iteration-by-iteration electronic and total energies for the H2O test case are as follows: Iter E(elec) E(tot) Delta(E) RMS(D) |
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I think there is a typo in this:
Pulled this into excel with the values from the other hints and got: -129.845399672522
which matches the value calculated in my code: -129.8453985210799
Could be wrong but thought it was worth putting it up as a PR in case I am correct