Go to the source code of this file.
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module | transport |
| routines for DFT+NEGF calculations (coupling with the quantum transport code OMEN)
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subroutine, public | transport::transport_env_create (qs_env) |
| creates the transport environment More...
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subroutine, public | transport::transport_initialize (ks_env, transport_env, template_matrix) |
| initializes the transport environment More...
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subroutine, public | transport::external_scf_method (transport_env, matrix_s, matrix_ks, matrix_p, nelectron_spin, natoms, energy_diff, iscf, extra_scf) |
| SCF calcualtion with an externally evaluated density matrix. More...
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subroutine, public | transport::qs_scf_post_transport (qs_env) |
| post scf calculations for transport More...
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