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