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# This code is part of the MAterials Simulation Toolkit (MAST)
# Recipe file to go with matching input file in /examples 
# Maintainer: Tam Mayeshiba
# Last updated: 2014-04-25
##############################################################
Recipe OptimizeWorkflow
perfect_opt1 (lowmesh_perfect)
    perfect_opt2 (relax_perfect)
        perfect_stat (perfect_stat_to_diffcoeff)
            diffcoeff_utility (diffcoeff)
        {begin}
        inducedefect_<N> (inducedefect)
            defect_<N>_<Q>_opt1 (lowmesh_defect)
                defect_<N>_<Q>_opt2 (relax_defect)
                    defect_<N>_<Q>_stat (static)
        {end}
{begin}
defect_<N>_<Q>_stat (static)
    phonon_<N>_<Q>_<P> (phonon)
        diffcoeff_utility (diffcoeff)
{end}
{begin}
defect_<N>_<Q>_stat (static_to_diffcoeff)
    diffcoeff_utility (diffcoeff)
{end}
{begin}
defect_<B>_<Q>_stat (static_to_neb), defect_<E>_<Q>_stat (static_to_neb)
    neb_<B-E>_<Q>_opt1 (neb_to_neb)
        neb_<B-E>_<Q>_opt2 (neb_to_nebstat)
            neb_<B-E>_<Q>_stat (nebstat_to_phonon)
    neb_<B-E>_<Q>_opt2 (neb_to_nebstat)
    neb_<B-E>_<Q>_stat (nebstat_to_phonon)
{end}
{begin}
neb_<B-E>_<Q>_stat (nebstat_to_diffcoeff)
    diffcoeff_utility (diffcoeff)
{end}
{begin}
neb_<B-E>_<Q>_stat (nebstat_to_phonon)
    phonon_<B-E>_<Q>_<P> (phonon)
        diffcoeff_utility (diffcoeff)
{end}
