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Commit 4392a5e6 authored by Ask Hjorth Larsen's avatar Ask Hjorth Larsen
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add smeagol test cases

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test/examples/smeagol-Au-leads/Au.POT.CONF 0 → 100644
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# Soft confinement potential for Au
# V_0 * Exp(-(r_ext-r_inn)/(r-r_inn))
# V_soft(r) = -----------------------------------
# (r_ext - r)
#
# Soft confinement for shell nsm = 1
# Soft confinement for shell l = 0
# Inner radius (r_inn) = 0.0000 bohrs
# External radius (r_ext) = 6.0833 bohrs
# Prefactor (V_0) = 0.0000 Ry
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