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    add old commit from frank treating problem: Included lmax into the argument... · 2075abfc
    P.Buhl authored
    add old commit from frank treating problem:  Included lmax into the argument lists of wann_mmk0_sph.f and wann_mmk0_updown_sph.f. Use lmax(n) instead of lmaxd to restrict angular momentum summations. Without this bugfix sometimes NAN pops up in the rspauli.1 file if there is more than one atom type in the unit cell and the lmax of the various atom types are different
    2075abfc
wann_mmk0_sph.f 5.51 KB