mirror of https://gitlab.com/QEF/q-e.git
22 lines
354 B
Plaintext
22 lines
354 B
Plaintext
KCW H2O KI hamiltonian
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&control
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prefix='h2o'
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outdir='./out'
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kcw_iverbosity = 1
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kcw_at_ks=.true.
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homo_only = .false.
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read_unitary_matrix = .false.
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assume_isolated = 'mt'
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calculation = 'ham'
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lrpa =.false.
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mp1 = 1
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mp2 = 1
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mp3 = 1
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/
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&ham
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do_bands = .false.
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use_ws_distance = .false.
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write_hr = .true.
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l_alpha_corr = .true.
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/
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