exercises:2014_ethz_mmm:basis_sets
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| exercise:basis_sets [2014/03/31 13:49] – oschuett | exercise:2014_ethz_mmm:basis_sets [2014/10/15 12:37] – exercise:basis_sets renamed to exercise:2014_ethz_mmm:basis_sets oschuett | ||
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| In this exericse you will compare different basis sets and use them for computing the binding energy of an H2 molecule. | In this exericse you will compare different basis sets and use them for computing the binding energy of an H2 molecule. | ||
| - | The cp2k basis set format is described in detail [[basis_sets|here]]. | + | The cp2k basis set format is described in detail [[:basis_sets|here]]. |
| ===== Part I: Different basis sets for H and H2 ===== | ===== Part I: Different basis sets for H and H2 ===== | ||
exercises/2014_ethz_mmm/basis_sets.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1