mirror of https://github.com/abinit/abinit.git
73 lines
1.6 KiB
YAML
73 lines
1.6 KiB
YAML
tol_eq: 1.0e-6
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tol_vec: 1.0e-5
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ks:
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# tolvrs 1.0e-7
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tol_abs: 5.0e-6
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tol_rel: 5.0e-6
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ResultsGS!:
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convergence:
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ceil: 1.0e-6
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cartesian_stress_tensor:
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tol_vec: 1.0e-7
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# EtotSteps:
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# data:
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# callback:
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# method: last_iter
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# tol_iter: 3
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# Etot(hartree):
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# tol: 1.0e-7
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# deltaE(h):
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# ceil: 2.0e-8
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# residm:
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# ceil: 5.0e-7
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# nres2:
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# ceil: 2.0e-8
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dmft:
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tol_abs: 2.0e-8
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tol_rel: 5.0e-9
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ResultsGS!: # hard reset result_gs
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convergence:
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ceil: 1.0e-6
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deltae:
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ceil: 2.0e-3
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res2:
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ignore: true
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fermie:
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tol_abs: 1.0e-7
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tol_rel: 1.0e-8
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cartesian_stress_tensor:
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ignore: true
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EnergyTerms:
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total_energy_eV:
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tol_abs: 1.0e-4
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tol_rel: 1.0e-8
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EnergyTermsDC:
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tol_abs: 1.0e-7
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total_energy_dc_eV:
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tol_abs: 1.0e-4
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tol_rel: 1.0e-8
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# EtotSteps:
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# data:
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# callback:
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# method: last_iter
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# tol_iter: 3
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# Etot(hartree):
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# tol: 1.0e-7
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# deltaE(h):
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# ceil: 2.0e-4
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# residm:
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# ceil: 1.0e-12
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# nres2:
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# ceil: 2.0e-1
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filters:
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ks:
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dtset: 1
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dmft:
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dtset: 2
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