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N E dE d eps ncg rms rms(c) CG : 1 -.13238703E+04 -.132E+04 -.934E+02 56 .28E+02 CG : 2 -.13391360E+04 -.152E+02 -.982E+01 82 .54E+01
N
E
dE
d eps
ncg
rms
rms (c)
the number of electronic steps
current free energy
change in free energy from (N-1) to N
change in bandstructure energy
number of evaluations of the Hamiltonian acting onto a wavefunction
norm of the residuals,
diff in output charge density.
N number of electronic steps.
E current free energy
dE the change in the free energy
d eps
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