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
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plovasp	small adjustments to Vasp converter (closes #146)	2020-08-03 12:39:34 +02:00
analyse_block_structure_from_gf2.py	synchronize dfttools with app4triqs structure	2020-06-10 17:45:53 +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
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_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_Sigma.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