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Searched refs:homo_energy (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dnegf_env_types.F106 REAL(kind=dp) :: homo_energy component
425 CALL negf_homo_energy_estimate(contact_env%homo_energy, qs_env_contact)
596 contact_env%homo_energy = 0.0_dp
995 SUBROUTINE negf_homo_energy_estimate(homo_energy, qs_env) argument
996 REAL(kind=dp), INTENT(out) :: homo_energy local
1066 homo_energy = my_homo_energy
H A Dnegf_methods.F465 fermi_level_min = negf_env%contacts(contact_id)%homo_energy
472 fermi_level_max = negf_env%contacts(contact_id)%homo_energy
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dnegf_env_types.F106 REAL(kind=dp) :: homo_energy component
425 CALL negf_homo_energy_estimate(contact_env%homo_energy, qs_env_contact)
596 contact_env%homo_energy = 0.0_dp
995 SUBROUTINE negf_homo_energy_estimate(homo_energy, qs_env) argument
996 REAL(kind=dp), INTENT(out) :: homo_energy local
1066 homo_energy = my_homo_energy
H A Dnegf_methods.F465 fermi_level_min = negf_env%contacts(contact_id)%homo_energy
472 fermi_level_max = negf_env%contacts(contact_id)%homo_energy