Template:Stdout
N iteration count E total energy dE change of total energy d eps change of the eigenvalues (fixed potential) ncg number of optimisation steps rms total residual vector rms(c) charge density residual vector
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N | iteration count |
E | total energy |
dE | change of total energy |
d eps | change of the eigenvalues (fixed potential) |
ncg | number of optimisation steps |
rms | total residual vector |
rms(c) | charge density residual vector |