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f55e5cf88f
quantum_package/data/ezfio_defaults/hartree_fock.ezfio_default
Thomas Applencourt f55e5cf88f with the default_file is beter
2015-03-26 20:32:59 +01:00

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hartree_fock
n_it_scf_max 200
thresh_scf 1.e-10
guess "Huckel"
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