Searched refs:nelec_spin (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_vxc.F | 116 INTEGER :: handle, ispin, myfun, nelec_spin(2), vdw local
448 CALL get_ks_env(ks_env, nelectron_spin=nelec_spin)
466 IF (nelec_spin(ispin) .GT. 0.0_dp) THEN
467 nelec_s_inv = 1.0_dp/nelec_spin(ispin)
494 exc = exc - dft_control%sic_scaling_b*nelec_spin(ispin)*exc_m
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_vxc.F | 116 INTEGER :: handle, ispin, myfun, nelec_spin(2), vdw local
448 CALL get_ks_env(ks_env, nelectron_spin=nelec_spin)
466 IF (nelec_spin(ispin) .GT. 0.0_dp) THEN
467 nelec_s_inv = 1.0_dp/nelec_spin(ispin)
494 exc = exc - dft_control%sic_scaling_b*nelec_spin(ispin)*exc_m
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