mirror of
https://github.com/triqs/dft_tools
synced 2024-06-25 22:52:20 +02:00
3122ab2a83
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 |
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| CMakeLists.txt | ||