exercises:2018_uzh_cmest:electronic_structure_dft
Differences
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| Both sides previous revisionPrevious revision | Last revisionBoth sides next revision | ||
| 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 [2018/10/05 11:58] – [2. Step: Selecting different functionals] abussy | ||
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| Line 135: | Line 135: | ||
| < | < | ||
| - | $ 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.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1