13 lines
221 B
Plaintext
13 lines
221 B
Plaintext
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[cell]
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kpoints_mp_spacing = 0.04
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symmetry_generate
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snap_to_symmetry
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[param]
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task = Geometry Optimisation
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basis_precision = precise
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grid_scale = 2.0
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fine_grid_scale = 3.0
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elec_energy_tol = 0.0000001 eV
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geom_max_iter = 50
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