Sophie Beck 3122ab2a83 Updates of Wannier90Converter: (#169) ... Added: substantial speed-up using MPI for Fourier transform option to add a local spin-orbit term to t2g local Hamiltonian. writing dft_fermi_energy to group 'dft_misc_input' writing kpt_basis to group 'dft_input' if bloch_basis=True writing kpts_cart to group 'dft_misc_input' if bloch_basis=True Minor bugfixes: bug can be caused by rounding of outer window limits if bloch_basis and disentangle =True, made error message clearer		2021-05-06 08:37:15 -04:00
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converters	Updates of Wannier90Converter: (#169)	2021-05-06 08:37:15 -04:00
__init__.py	synchronize dfttools with app4triqs structure	2020-06-10 17:45:53 +02:00
block_structure.py	Merge branch 'unstable' into py3	2020-06-23 10:53:52 +02:00
clear_h5_output.py	synchronize dfttools with app4triqs structure	2020-06-10 17:45:53 +02:00
CMakeLists.txt	Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable	2021-02-03 11:03:08 -05:00
sumk_dft_tools.py	removed unused debug print commands	2020-10-12 07:52:19 -04:00
sumk_dft.py	Added parameter kpts_to_write to SumkDFT.calc_density_correction (#170)	2021-05-05 11:55:40 -04:00
symmetry.py	synchronize dfttools with app4triqs structure	2020-06-10 17:45:53 +02:00
trans_basis.py	Merge branch 'unstable' into py3	2020-06-23 10:53:52 +02:00
update_archive.py	synchronize dfttools with app4triqs structure	2020-06-10 17:45:53 +02:00
version.py.in	synchronize dfttools with app4triqs structure	2020-06-10 17:45:53 +02:00