exercises:2016_ethz_mmm:ls_scf
Differences
This shows you the differences between two versions of the page.
Both sides previous revisionPrevious revision | Next 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 11:48] – sclelia | ||
---|---|---|---|
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 20 | ||
! 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