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dft_tools/test/python
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Alexander Hampel af8cde628e small adjustments to Vasp converter (closes #146) 
* adding kpts_basis, kpts, and kpt_weights to h5 dft_input
* read these properties as optional arguments in Sumk_dft.py
* change accordingly the ref h5 files for vasp converter test
* soon all converters are demanted to store those properties
* bz_weights should then be replaced by kpt_weights
* closes PR #146
2020-08-03 12:39:34 +02:00
..
plovasp small adjustments to Vasp converter (closes #146) 2020-08-03 12:39:34 +02:00
analyse_block_structure_from_gf.py Merge branch 'unstable' into py3 2020-06-23 10:53:52 +02:00
analyse_block_structure_from_gf.ref.h5 Merge branch 'unstable' into py3 2020-06-23 10:53:52 +02:00
analyse_block_structure_from_gf2.py synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
basis_transformation.py renamed converters from app_converter.py to app.py 2020-06-23 11:13:00 +02:00
blockstructure.in.h5 Merge branch 'unstable' into py3 2020-06-23 10:53:52 +02:00
blockstructure.py Merge branch 'unstable' into py3 2020-06-23 10:53:52 +02:00
blockstructure.ref.h5 Merge branch 'unstable' into py3 2020-06-23 10:53:52 +02:00
CMakeLists.txt Merge branch 'unstable' into py3 2020-06-23 10:53:52 +02:00
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 synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
LaVO3-Pnma_ef_hr.dat Merge branch 'unstable' into py3 2020-06-23 10:53:52 +02:00
LaVO3-Pnma_ef.inp Merge branch 'unstable' into py3 2020-06-23 10:53:52 +02:00
LaVO3-Pnma_hr.dat synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
LaVO3-Pnma.inp synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
sigma_from_file.py Replace remaing occurances of SrVO3.h5 with SrVO3.ref.h5 2020-06-10 12:48:43 -04:00
sigma_from_file.ref.h5 synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
SrIrO3_rot.h5 synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
srvo3_Gloc.py renamed converters from app_converter.py to app.py 2020-06-23 11:13:00 +02:00
srvo3_Gloc.ref.h5 synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
SrVO3_Sigma.h5 synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
srvo3_transp.py renamed converters from app_converter.py to app.py 2020-06-23 11:13:00 +02:00
srvo3_transp.ref.h5 synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
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 synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
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 removed SrVO3 now SrVO3.ref.h5 and changed the test 2020-06-10 18:17:16 +02:00
sumkdft_basic.ref.h5 synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
test_w90_ef.py renamed converters from app_converter.py to app.py 2020-06-23 11:13:00 +02:00
w90_convert.py synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
w90_convert.ref.h5 synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
wien2k_convert.py synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
wien2k_convert.ref.h5 synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00