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qs_kubo_bloch.F File Reference

Go to the source code of this file.

Modules

module  qs_kubo_bloch
 Full-mesh scalar/spinor Bloch currents from CP2K image operators and analytic AO moments.

Functions/Subroutines

subroutine, public qs_kubo_bloch::setup_bloch_transport (qs_env, grid, do_soc, projection, max_memory_mb, energies, current, occupations, symmetry, backend, eps_symmetry, eps_operators)
 Build a full Gamma-centered property mesh, independent of SCF reduction.