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

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_scf_post_tb.F183 REAL(KIND=dp), DIMENSION(2, 2) :: homo_lumo local
568 homo_lumo(ispin, 1) = mo_eigenvalues(homo)
1528 REAL(KIND=dp) :: homo_lumo(2, 2) local
1557 homo_lumo(ispin, 1) = mo_eigenvalues(shomo)
H A Dqs_scf_post_gpw.F252 REAL(KIND=dp) :: gap, homo_lumo(2, 2) local
464 homo_lumo(ispin, 1) = mo_eigenvalues(homo)
592 homo_lumo(ispin, 2) = unoccupied_evals(ispin)%array(1)
635 gap = homo_lumo(ispin, 2) - homo_lumo(ispin, 1)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_scf_post_tb.F177 REAL(KIND=dp), DIMENSION(2, 2) :: homo_lumo local
548 homo_lumo(ispin, 1) = mo_eigenvalues(homo)
1505 REAL(KIND=dp) :: homo_lumo(2, 2) local
1534 homo_lumo(ispin, 1) = mo_eigenvalues(shomo)
H A Dqs_scf_post_gpw.F250 REAL(KIND=dp) :: gap, homo_lumo(2, 2) local
462 homo_lumo(ispin, 1) = mo_eigenvalues(homo)
590 homo_lumo(ispin, 2) = unoccupied_evals(ispin)%array(1)
633 gap = homo_lumo(ispin, 2) - homo_lumo(ispin, 1)