abinit/tests/paral/Input/t92_MPI4.yaml

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361 B
YAML

tol_abs: 0.03
tol_rel: 0.03
EnergyTerms:
tol_abs: 0.03
double_counting:
tol_rel: 1.0
EnergyTermsDC:
double_counting:
tol_rel: 1.0
ResultsGS:
tol_rel: 0.03
convergence:
ceil: 0.1
EtotSteps:
data:
callback: # callback takes a mapping as its value
method: last_iter
tol_iter: 0