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dft_tools/test/python/elk/elk_bands_convert.py

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import os
from h5 import *
from triqs.utility.comparison_tests import *
from triqs.utility.h5diff import h5diff
import triqs.utility.mpi as mpi
from triqs_dft_tools.converters import ElkConverter
#get current working directory path
cwd = format(os.getcwd())
#location of test directory
testdir = cwd+'/elk_bands_convert'
#change to test directory
os.chdir(testdir)
Converter = ElkConverter(filename='SrVO3', repacking=True)
Converter.hdf_file = 'elk_bands_convert.out.h5'
Converter.convert_dft_input()
Converter.convert_bands_input()
if mpi.is_master_node():
h5diff('elk_bands_convert.out.h5','elk_bands_convert.ref.h5')
#return to cwd
os.chdir(cwd)