• Gregor Michalicek's avatar
    Use density matrix stored in cdn.hdf file · 075d7301
    Gregor Michalicek authored
    Note: Also in this commit:
    1. Changed test values in NiO_ldauXML test since now the broyden files get deleted
       when a new density matrix is generated
    2. The NiO_ldau test should not work any more since linear mixing for the density
       matrix is removed for the old inp file. (It is not specified in the n_mmp_mat
       file any more)