exercises:2018_uzh_cmest:electronic_structure_dft
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exercises:2018_uzh_cmest:electronic_structure_dft [2018/09/17 12:52] – external edit 127.0.0.1 | exercises:2018_uzh_cmest:electronic_structure_dft [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
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Line 78: | Line 78: | ||
In the ''& | In the ''& | ||
- | The files are located in '' | + | The files are located in '' |
< | < | ||
- | $ cd $CP2K_DATA_DIR | + | $ cd / |
$ less BASIS_SET | $ less BASIS_SET | ||
$ less POTENTIAL | $ less POTENTIAL | ||
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.1537188763.txt.gz · Last modified: 2020/08/21 10:14 (external edit)