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dft_tools/test/python
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Alexander Hampel 23723bc580 [vasp] change normion default to False 
In coordination with M. Aichorn and O. Peil we decided to change the
default of the normion to False. This is closed to the behavior of the
other converters w90, elk, and wien2k, which will always orthonormalize
all projectors in a unit cell together (normion=False) and not per ion
site (normion=True). Changed tests accordingly.
2023-07-24 11:30:39 -04:00
..
elk fixed test 2023-04-17 11:05:27 +01:00
plovasp [vasp] change normion default to False 2023-07-24 11:30:39 -04:00
w90_convert Elk Transport code and subsequent updates (#229) 2023-01-04 17:16:57 -05:00
w90_optics feat: optical prop with Wannier90 and WannierBerri 2023-03-23 12:24:38 -04:00
analyse_block_structure_from_gf2.py fix: np.int / np.float / np. complex are depracted (np v1.20) / removed (np v1.24) 2023-01-23 15:40:57 -05:00
analyse_block_structure_from_gf.py fix: np.int / np.float / np. complex are depracted (np v1.20) / removed (np v1.24) 2023-01-23 15:40:57 -05:00
analyse_block_structure_from_gf.ref.h5 Merge branch 'unstable' into py3 2020-06-23 10:53:52 +02:00
basis_transformation.py [fix] U_matrix renamed to U_matrix_slater e7310c8 2023-06-02 10:15:29 -04:00
blockstructure.in.h5 Elk Transport code and subsequent updates (#229) 2023-01-04 17:16:57 -05:00
blockstructure.py remove gf_struct_flatten function and replace with triqs version 2022-03-09 09:15:10 -05:00
blockstructure.ref.h5 Merge branch 'unstable' into py3 2020-06-23 10:53:52 +02:00
calc_mu.py [fix] issue #216 correctly use beta when calling density on MeshReFreq 2023-06-28 16:18:43 -04:00
CMakeLists.txt feat: optical prop with Wannier90 and WannierBerri 2023-03-23 12:24:38 -04:00
dc_test.py outsource calc_DC_from_density into util.py and cleanup 2023-03-21 09:34:49 -04:00
hk_convert_hamiltonian.hk synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
hk_convert.py synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
hk_convert.ref.h5 Elk Transport code and subsequent updates (#229) 2023-01-04 17:16:57 -05:00
NiO.ref.h5 Corrections for new calc_dc and calc_mu 2023-03-21 09:34:49 -04:00
NiO.ref.h5_copy Corrections for new calc_dc and calc_mu 2023-03-21 09:34:49 -04:00
sigma_from_file.py start changelog for unstable and fix python test 2022-07-07 09:33:16 -04:00
sigma_from_file.ref.h5 synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
sr2ruo4_transp.ref.h5 test: correct broken tests and append new one 2023-03-23 12:26:22 -04:00
SrIrO3_rot.h5 Elk Transport code and subsequent updates (#229) 2023-01-04 17:16:57 -05:00
srvo3_Gloc.py fixed tests to work with dev version of triqs 2021-05-26 17:59:50 -04:00
srvo3_Gloc.ref.h5 synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
srvo3_spectral.py doc, log and minor updates 2023-06-19 14:34:47 +01:00
srvo3_spectral.ref.h5 vectorize loop over frequencies in spaghettis 2021-10-13 17:37:33 -04:00
srvo3_transp.py [fix] update mpi.all_reduce calls 52bccac 2023-06-02 10:51:48 -04:00
srvo3_transp.ref.h5 test: correct broken tests and append new one 2023-03-23 12:26:22 -04:00
SrVO3_Sigma_transport.h5 fix transport test, allow for parallel execution of tests 2022-04-20 11:36:10 -04:00
SrVO3_Sigma.h5 synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
SrVO3_spectral.h5 Elk Transport code and subsequent updates (#229) 2023-01-04 17:16:57 -05:00
SrVO3.ctqmcout synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
SrVO3.oubwin synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
SrVO3.outputs synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
SrVO3.parproj synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
SrVO3.pmat synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
SrVO3.ref.h5 Corrections for new calc_dc and calc_mu 2023-03-21 09:34:49 -04:00
SrVO3.ref.h5_copy Corrections for new calc_dc and calc_mu 2023-03-21 09:34:49 -04:00
SrVO3.struct synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
SrVO3.sympar synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
SrVO3.symqmc synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
sumkdft_basic.py fix bugs and tests 2022-04-20 11:36:10 -04:00
sumkdft_basic.ref.h5 synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
w90_convert_fermienergy.py Updated W90 converter: bug fixes for SOC, code restructured, more tests for add_lambda and bloch_basis 2022-04-15 10:51:37 -04:00
w90_convert_LaVO3.py Split wannier90 tests up 2022-04-19 17:03:49 +02:00
w90_convert_SrVO3_col.py Split wannier90 tests up 2022-04-19 17:03:49 +02:00
w90_convert_SrVO3_soc.py Fix for wannier converter: reordering of orbital/spin order only necessary for vasp 5 2022-10-19 11:28:33 +02:00
w90_convert_SrVO3_t2g_col.py Split wannier90 tests up 2022-04-19 17:03:49 +02:00
w90_optics_Sr2RuO4.py refactor & fix: merge the two read functions and small fixes 2023-03-23 12:57:15 -04:00
wien2k_convert.py synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
wien2k_convert.ref.h5 Elk Transport code and subsequent updates (#229) 2023-01-04 17:16:57 -05:00