
coefficients +coeff
bweights +bweights_bwdef

bwdef simple on
    contrib
        site 2
        orbital 3d
        xaxis 1. 0. 0.
        zaxis 0. 0. 1.
bwdef simple on
    contrib
        site 3
        orbital 2p
        xaxis 1. 0. 0.
        zaxis 0. 0. 1.
bwdef simple on
    contrib
        site 4
        orbital 2p
        xaxis 0. 1. 0.
        zaxis 0. 0. 1.
