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https://github.com/triqs/dft_tools
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Fix typo in routine name convert_dmft_input
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@ -21,7 +21,7 @@ use_val= U_int * (Natomic - 0.5) - J_hund * (Natomic * 0.5 - 0.5)
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# Convert DMFT input:
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# Can be commented after the first run
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Converter = Wien2kConverter(filename=dft_filename)
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Converter.convert_dmft_input()
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Converter.convert_dft_input()
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#check if there are previous runs:
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previous_runs = 0
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@ -22,7 +22,7 @@ HDFfilename = dft_filename+'.h5'
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# Convert DMFT input:
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# Can be commented after the first run
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Converter = Wien2kConverter(filename=dft_filename,repacking=True)
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Converter.convert_dmft_input()
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Converter.convert_dft_input()
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Converter.convert_parproj_input()
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#check if there are previous runs:
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@ -36,7 +36,7 @@ Most of these parameters are self-explaining. The first, `dft_filename`, gives t
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The next step, as described in the previous section, is to convert the input files::
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Converter = Wien2kConverter(filename=dft_filename, repacking=True)
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Converter.convert_dmft_input()
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Converter.convert_dft_input()
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mpi.barrier()
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The command ``mpi.barrier()`` ensures that all nodes wait until the conversion of the input is finished on the master
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@ -46,7 +46,7 @@ There are three optional parameters to the Constructor:
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After initialising the interface module, we can now convert the input text files into the
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hdf5 arxive by::
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Converter.convert_dmft_input()
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Converter.convert_dft_input()
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This reads all the data, and stores it in the subgroup `dft_subgrp`, as discussed above.
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In this step, the files :file:`material_of_interest.ctqmcout` and :file:`material_of_interest.symqmc`
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@ -27,7 +27,7 @@ p["n_warmup_cycles"] = 50
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p["n_cycles"] = 5000
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Converter = Wien2kConverter(filename=dft_filename, repacking=True)
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Converter.convert_dmft_input()
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Converter.convert_dft_input()
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mpi.barrier()
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previous_runs = 0
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@ -50,7 +50,7 @@ class HkConverter(ConverterTools):
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ConverterTools.repack(self)
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def convert_dmft_input(self, first_real_part_matrix = True, only_upper_triangle = False, weights_in_file = False):
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def convert_dft_input(self, first_real_part_matrix = True, only_upper_triangle = False, weights_in_file = False):
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"""
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Reads the input files, and stores the data in the HDFfile
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"""
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@ -59,7 +59,7 @@ class Wien2kConverter(ConverterTools):
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ConverterTools.repack(self)
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def convert_dmft_input(self):
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def convert_dft_input(self):
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"""
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Reads the input files, and stores the data in the HDFfile
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"""
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@ -20,7 +20,7 @@ class TransBasis:
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return 0
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Converter = Wien2kConverter(filename=hdf_datafile,repacking=False)
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Converter.convert_dmft_input()
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Converter.convert_dft_input()
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del Converter
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self.SK = SumkDFT(hdf_file=hdf_datafile+'.h5',use_dft_blocks=False)
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@ -26,4 +26,4 @@ from pytriqs.archive import *
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Converter = HkConverter(hk_filename='hk_convert_hamiltonian.hk',hdf_filename='hk_convert.output.h5')
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Converter.convert_dmft_input()
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Converter.convert_dft_input()
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@ -26,7 +26,7 @@ from pytriqs.applications.dft.converters import Wien2kConverter
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Converter = Wien2kConverter(filename='SrVO3')
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Converter.hdf_file = 'wien2k_convert.output.h5'
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Converter.convert_dmft_input()
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Converter.convert_dft_input()
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Converter.convert_parproj_input()
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