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exercises:2016_ethz_mmm:ls_scf

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exercises:2016_ethz_mmm:ls_scf [2016/05/12 11:48]
sclelia
exercises:2016_ethz_mmm:ls_scf [2016/05/12 12:12] (current)
sclelia
Line 56: Line 56:
       ! convergence for the SCF       ! convergence for the SCF
       EPS_SCF ​   1E-15       EPS_SCF ​   1E-15
-      MAX_SCF ​20+      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         ​-0.15 ​       MU         ​-0.15 ​
exercises/2016_ethz_mmm/ls_scf.txt ยท Last modified: 2016/05/12 12:12 by sclelia