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upstream/1.6

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gwbse_iqm_pair.xml @upstream/1.6

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<mbgft>
        <basisset help="basiset to use">ubecppol</basisset>
        <auxbasisset help="auxilliary basiset to use">aux-ubecppol</auxbasisset>
        <ranges help="default: all levels in RPA, 1:2*HOMO in QP and BSE; other options: factor,explicit"></ranges>
        <rpamax></rpamax>
        <qpmin></qpmin>
        <qpmax></qpmax>
        <bsemin></bsemin>
        <bsemax></bsemax>
	<scissor_shift help="preshift unoccupied MOs by a constant for GW calculation" unit="hartree"> 0.3</scissor_shift>
	<tasks help="tasks to do gw,singlets,triplets or all">gw</tasks>
        <exctotal help="maximum number of BSE states to calculate">1</exctotal>
</mbgft>