/dports/science/siesta/siesta-4.1.5/Src/SiestaXC/ |
H A D | atomxc.F90 | 253 dphidk(:,:)=>null(), dtdgd(:,:,:)=>null(), dtdd(:,:)=>null(), & local 382 call re_alloc( dphidk, 1,nq, 1,nq, myName//'dphidk') 472 call vdw_phi( k(ik), phi, dphidk ) 663 call de_alloc( dphidk, myName//'dphidk' )
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H A D | vv_vdwxc.F90 | 791 real(dp),intent(out):: dphidk(:,:) ! dphi(k1,k2,k)/dk at given k local 806 dphidk(:,:) = 0 822 dphidk(ik1,ik2) = (-phik(ik,ik1,ik2) & 826 dphidk(ik2,ik1) = dphidk(ik1,ik2)
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H A D | cellxc.F90 | 357 dphidk(:,:)=>null(), dtdgd(:,:,:)=>null(), dtdd(:,:)=>null(), & local 714 call re_alloc( dphidk,1,nq, 1,nq, myName//'dphidk') 872 call vdw_phi( k, phi, dphidk ) 890 dudk(1:nq) = matmul( tk(1:nq), dphidk(1:nq,1:nq) ) 1323 call de_alloc( dphidk, myName//'dphidk' )
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H A D | vdwxc.F90 | 1536 real(dp),intent(out):: dphidk(:,:) ! dphi(q1,q2,k)/dk at given k local 1543 call vv_vdw_phi( k, phi, dphidk ) 1571 dphidk(iq1,iq2) = (-phik(ik,iq1,iq2) + phik(ik+1,iq1,iq2)) / dk & 1574 dphidk(iq2,iq1) = dphidk(iq1,iq2)
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/dports/science/libgridxc/libgridxc-libgridxc-0.9.6/src/ |
H A D | atomxc.F90 | 157 dphidk(:,:)=>null(), dtdgd(:,:,:)=>null(), dtdd(:,:)=>null(), & local 335 call re_alloc( dphidk, 1,nq, 1,nq, myName//'dphidk') 425 call vdw_phi( k(ik), phi, dphidk ) 635 call de_alloc( dphidk, myName//'dphidk' )
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H A D | vv_vdwxc.F90 | 795 real(dp),intent(out):: dphidk(:,:) ! dphi(k1,k2,k)/dk at given k local 810 dphidk(:,:) = 0 826 dphidk(ik1,ik2) = (-phik(ik,ik1,ik2) & 830 dphidk(ik2,ik1) = dphidk(ik1,ik2)
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H A D | cellxc.F90 | 244 dphidk(:,:)=>null(), dtdgd(:,:,:)=>null(), dtdd(:,:)=>null(), & local 660 call re_alloc( dphidk,1,nq, 1,nq, myName//'dphidk') 818 call vdw_phi( k, phi, dphidk ) 836 dudk(1:nq) = matmul( tk(1:nq), dphidk(1:nq,1:nq) ) 1288 call de_alloc( dphidk, myName//'dphidk' )
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H A D | vdwxc.F90 | 1540 real(dp),intent(out):: dphidk(:,:) ! dphi(q1,q2,k)/dk at given k local 1547 call vv_vdw_phi( k, phi, dphidk ) 1575 dphidk(iq1,iq2) = (-phik(ik,iq1,iq2) + phik(ik+1,iq1,iq2)) / dk & 1578 dphidk(iq2,iq1) = dphidk(iq1,iq2)
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