exercises:2018_uzh_cmest:electronic_structure_dft
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| exercises:2018_uzh_cmest:electronic_structure_dft [2018/10/05 11:57] – [1. Step: Running a DFT calculation] abussy | exercises:2018_uzh_cmest:electronic_structure_dft [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
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| - | $ TIME=%E time cp2k.sopt -i ethene_LDA.inp -o ethene_LDA.out | + | $ TIME=%E time cp2k.popt -i ethene_LDA.inp -o ethene_LDA.out |
| 0:09.34 | 0:09.34 | ||
| </ | </ | ||
exercises/2018_uzh_cmest/electronic_structure_dft.1538740667.txt.gz · Last modified: 2020/08/21 10:14 (external edit)