LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2025-04-28 19:25:00 +02:00
Code Issues Releases Wiki Activity

Replace remaing occurances of SrVO3.h5 with SrVO3.ref.h5

Browse Source
This commit is contained in:
Nils Wentzell 2020-06-10 12:48:43 -04:00
parent f4112b3cca
commit 97476c1a1f
3 changed files with 3 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
test/python/sigma_from_file.py
View File

@ -40,7 +40,7 @@ for name, s in Sigma_hdf:
np.savetxt('Sigma_' + name + '.dat', mesh_a_data) np.savetxt('Sigma_' + name + '.dat', mesh_a_data)
# Read self energy from txt files # Read self energy from txt files
SK = SumkDFTTools(hdf_file = 'SrVO3.h5', use_dft_blocks = True) SK = SumkDFTTools(hdf_file = 'SrVO3.ref.h5', use_dft_blocks = True)
# the order in the orig SrVO3 file is not assured, hence order it here # the order in the orig SrVO3 file is not assured, hence order it here
a_list = sorted([a for a,al in SK.gf_struct_solver[0].items()]) a_list = sorted([a for a,al in SK.gf_struct_solver[0].items()])

2
test/python/srvo3_Gloc.py
View File

@ -31,7 +31,7 @@ from triqs.utility.h5diff import h5diff
beta = 40 beta = 40
# Init the SumK class # Init the SumK class
SK=SumkDFT(hdf_file='SrVO3.h5',use_dft_blocks=True) SK=SumkDFT(hdf_file='SrVO3.ref.h5',use_dft_blocks=True)
num_orbitals = SK.corr_shells[0]['dim'] num_orbitals = SK.corr_shells[0]['dim']
l = SK.corr_shells[0]['l'] l = SK.corr_shells[0]['l']

2
test/python/srvo3_transp.py
View File

@ -32,7 +32,7 @@ Converter = Wien2kConverter(filename='SrVO3', repacking=True)
Converter.convert_dft_input() Converter.convert_dft_input()
Converter.convert_transport_input() Converter.convert_transport_input()
SK = SumkDFTTools(hdf_file='SrVO3.h5', use_dft_blocks=True) SK = SumkDFTTools(hdf_file='SrVO3.ref.h5', use_dft_blocks=True)
with HDFArchive('SrVO3_Sigma.h5', 'a') as ar: with HDFArchive('SrVO3_Sigma.h5', 'a') as ar:
Sigma = ar['dmft_transp_input']['Sigma_w'] Sigma = ar['dmft_transp_input']['Sigma_w']