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 D | loc_scdm.f90 | 393 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 …]
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H A D | loc_scdm_k.f90 | 412 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 )
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