<gwbse>
<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">default</ranges>
<rpamax help="only needed, if ranges is factor or explicit, number of levels in rpa"></rpamax>
<qpmin help="only needed, if ranges is factor or explicit, lowest MO to be used in GW"></qpmin>
<qpmax help="only needed, if ranges is factor or explicit, highest MO to be used in GW"></qpmax>
<bsemin help="only needed, if ranges is factor or explicit, lowest MO to be used in BSE"></bsemin>
<bsemax help="only needed, if ranges is factor or explicit, highest MO to be used in BSE"></bsemax>
<vxc help="Exchange correlation functional computation for GW">
<functional help="functional name(s) according to LIBXC">XC_HYB_GGA_XC_PBEH</functional>
<grid help="grid quality xcoarse,coarse,medium,fine,xfine">medium</grid>
</vxc>
<scissor_shift help="preshift unoccupied MOs by a constant for GW calculation" unit="hartree">0.2</scissor_shift>
<mode help="use single short (G0W0) or self-consistent GW (evGW)">evGW</mode>
<tasks help="tasks to do gw,singlets,triplets or all">gw,singlets,triplets</tasks>
<sigma_integrator help="self-energy correlation integration method: ppm, exact">ppm</sigma_integrator>
<eta help="small parameter eta of the Green's function">1e-3</eta>
<qp_solver help="QP equation solve method: fixedpoint, grid">fixedpoint</qp_solver>
<qp_grid_steps help="number of QP grid points">201</qp_grid_steps>
<qp_grid_spacing help="spacing of QP grid points in Ha">1e-3</qp_grid_spacing>
<exctotal help="maximum number of BSE states to calculate">25</exctotal>
<useTDA help="use TDA for BSE default `false`">1</useTDA>
<ignore_corelevels help="exclude core MO level from calculation on RPA,GW or BSE level, default=no">no</ignore_corelevels>
<eigensolver help="options for BSE eigenvalue decompostion">
<dodavidson help="use davidson solver" >1</dodavidson>
<davidson_correction help="DPR or OHLSEN" >DPR</davidson_correction>
<davidson_tolerance help="loose,normal,strict"> normal</davidson_tolerance>
<davidson_ortho help="orthogonalisation routine GS or QR" >GS</davidson_ortho>
<davidson_update help=" how large the search space can become min, safe, max" >safe</davidson_update>
<davidson_maxiter help="max iterations" >50</davidson_maxiter>
<domatrixfree help="solve without explicitly setting up BSE matrix, (slower but a lot less memory required" >0</domatrixfree>
</eigensolver>
</gwbse>