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Searched refs:grad_den (Results 1 – 2 of 2) sorted by relevance

/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/
H A Dloc_scdm.f90393 REAL(DP), ALLOCATABLE :: den(:), grad_den(:,:) local
400 allocate( den(dfftt%nnr), grad_den(3, dfftt%nnr) )
402 Call scdm_thresholds( den, grad_den, ThrDen, ThrGrd )
413 deallocate( den, grad_den )
462 REAL(DP), INTENT(OUT) :: grad_den(3,dfftt%nnr) local
506 call fft_gradient_r2r ( dfftt, den, gt, grad_den )
511 grad = sqrt( grad_den(1,ir)**2 + grad_den(2,ir)**2 + grad_den(3,ir)**2 )
581 REAL(DP), INTENT(IN) :: grad_den(3,dfftt%nnr) local
607 grad = sqrt( grad_den(1,ir)**2 + grad_den(2,ir)**2 + grad_den(3,ir)**2 )
638 REAL(DP), INTENT(IN) :: den(dfftt%nnr), grad_den(3, dfftt%nnr) local
[all …]
H A Dloc_scdm_k.f90412 REAL(DP), ALLOCATABLE :: den(:), grad_den(:,:) local
420 ALLOCATE( den(dfftt%nnr), grad_den(3, dfftt%nnr) )
422 CALL scdm_thresholds( den, grad_den, ThrDen, ThrGrd )
426 CALL scdm_points( den, grad_den, ThrDen, ThrGrd, cpu_npt, nptot )
430 CALL scdm_prescreening_k( NGrid, NBands, exxbuff(1,1,IKQ), den, grad_den, &
432 DEALLOCATE( den, grad_den )
500 REAL(DP), INTENT(IN) :: grad_den(3,dfftt%nnr) local
527 grad = SQRT( grad_den(1,ir)**2 + grad_den(2,ir)**2 + grad_den(3,ir)**2 )