Exemplo n.º 1
0
        previous_present = False
    del ar

mpi.barrier()
previous_runs    = mpi.bcast(previous_runs)
previous_present = mpi.bcast(previous_present)

# Init the SumK class
SK=SumkLDA(hdf_file=LDAFilename+'.h5',use_lda_blocks=False)

Norb = SK.corr_shells[0][3]
l    = SK.corr_shells[0][2]

# Init the Solver:
S = Solver(Beta = Beta, Uint = Uint, JHund = JHund, l = l, Verbosity=2)
S.Nmoments=10

if (previous_present):
    # load previous data:
    mpi.report("Using stored data for initialisation")
    if (mpi.is_master_node()):
        ar = HDFArchive(HDFfilename,'a')
        S.Sigma <<= ar['SigmaF']
        del ar
    S.Sigma = mpi.bcast(S.Sigma)
    SK.load()

# DMFT loop:
for Iteration_Number in range(1,Loops+1):
    
        itn = Iteration_Number + previous_runs