Searched defs:atom_dpot_lda (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | atom_xc.F | 988 SUBROUTINE atom_dpot_lda(basis0, pmat0, basis1, pmat1, maxl, functional, dfexc, linxpar) subroutine
998 CHARACTER(LEN=*), PARAMETER :: routineN = 'atom_dpot_lda', routineP = moduleN//':'//routineN argument
999 REAL(KIND=dp), PARAMETER :: alx = 0.20_dp, blx = -0.06_dp, &
1000 fs = -0.75_dp*(3._dp/pi)**(1._dp/3._dp)
1002 INTEGER :: handle, ir, nr
1003 REAL(KIND=dp) :: a, b, fx
1004 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: delta, drho0, drho1, pot0, pot1, rho0, &
1005 rho1
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | atom_xc.F | 988 SUBROUTINE atom_dpot_lda(basis0, pmat0, basis1, pmat1, maxl, functional, dfexc, linxpar) subroutine
998 CHARACTER(LEN=*), PARAMETER :: routineN = 'atom_dpot_lda', routineP = moduleN//':'//routineN argument
999 REAL(KIND=dp), PARAMETER :: alx = 0.20_dp, blx = -0.06_dp, &
1000 fs = -0.75_dp*(3._dp/pi)**(1._dp/3._dp)
1002 INTEGER :: handle, ir, nr
1003 REAL(KIND=dp) :: a, b, fx
1004 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: delta, drho0, drho1, pot0, pot1, rho0, &
1005 rho1
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