exercises:2016_ethz_mmm:ls_scf
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| Both sides previous revisionPrevious revisionNext revision | Previous revisionLast revisionBoth sides next revision | ||
| exercises:2016_ethz_mmm:ls_scf [2016/05/12 09:00] – [Input File] sclelia | exercises:2016_ethz_mmm:ls_scf [2016/05/12 12:12] – sclelia | ||
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| Line 55: | Line 55: | ||
| EPS_FILTER 1E-5 | EPS_FILTER 1E-5 | ||
| ! convergence for the SCF | ! convergence for the SCF | ||
| - | EPS_SCF | + | EPS_SCF |
| + | MAX_SCF 30 | ||
| ! chemical potential, an energy from within in the HOMO-LUMO gap | ! chemical potential, an energy from within in the HOMO-LUMO gap | ||
| MU | MU | ||
exercises/2016_ethz_mmm/ls_scf.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1