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exercises:2016_uzh_cmest:electronic_structure_dft

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Electronic structure calculation using DFT

In this exercise, you will perform again an electronic structure calculation (of Ethene), but this time using Density Functional Theory and different functionals.

exercises/2016_uzh_cmest/electronic_structure_dft.1475742234.txt.gz · Last modified: 2020/08/21 10:15 (external edit)