/dports/science/berkeleygw/BGW-2.0.0/Sigma/ |
H A D | input_outer.f90 | 154 wfnk%nkpt=kp_outer%ngk(irk) 156 wfnk%k(:)=qk(:) 157 wfnk%isrtk(:)=isort(:) 159 wfnk%ek(1:ntband_outer,k)= & 161 wfnk%elda(1:ntband_outer,k)= & 164 SAFE_ALLOCATE(wfnk%zk, (wfnk%ndv,sig%nspin*kp_outer%nspinor)) 165 wfnk%zk=ZERO 238 j=wfnk%ndv/(peinf%npes/peinf%npools) 243 g2=min(j+i*j,wfnk%ndv) 248 wfnkmpi%cg(1:wfnk%ndv,k,ikn)=wfnk%zk(1:wfnk%ndv,k) [all …]
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H A D | mtxel_vxc.f90 | 27 type (wfnkstates), intent(inout) :: wfnk, wfnkoff local 136 …call put_into_fftbox(wfnk%nkpt,wfnk%zk((in-1)*wfnk%nkpt+1:,ij),gvec%components,wfnk%isrtk,fftbox2(… 193 do ik=1,wfnk%nkpt 194 wfnkoff%zk((ii-1)*wfnk%nkpt+ik,jsp)= & 195 wfnk%zk((jso-1)*wfnk%nkpt+ik,ispin*jsp) 203 (wfnk%zk((jso-1)*wfnk%nkpt+1,ispin*jsp),wfnk%nkpt, & 206 (wfnkoff%zk((ii-1)*wfnk%nkpt+1,jsp),wfnk%nkpt, & 211 do ik=1,wfnk%nkpt 213 wfnk%zk((jso-1)*wfnk%nkpt+ik,ispin*jsp) 263 …call put_into_fftbox(wfnk%nkpt,wfnkoff%zk(1:,jsp),gvec%components,wfnk%isrtk,fftbox2(:,:,:,jsp),Nf… [all …]
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H A D | mtxel_occ.f90 | 30 type (wfnkstates), intent(in) :: wfnk local 81 …call put_into_fftbox(wfnk%nkpt,wfnk%zk((n-1)*wfnk%nkpt+1:,jsp),gvec%components,wfnk%isrtk,fftbox1,… 95 …call put_into_fftbox(wfnk%nkpt,wfnk%zk((m-1)*wfnk%nkpt+1:,jsp),gvec%components,wfnk%isrtk,fftbox2,…
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H A D | sigma_main.f90 | 55 type (wfnkstates) :: wfnk,wfnkoff variable 626 wfnk%ndv=peinf%ndiag_max*wfnk%nkpt 629 wfnk%isrtk(1:wfnk%nkpt)=wfnkmpi%isort(1:wfnk%nkpt,ika) 644 SAFE_ALLOCATE(wfnk%zk, (wfnk%ndv,sig%nspin*kp%nspinor)) 645 wfnk%zk=ZERO 682 wfnk%zk(1:wfnk%ndv,k)=wfnkmpi%cg(1:wfnk%ndv,k,ika) 1654 wfnkoff%zk((ii-1)*wfnk%nkpt+k,jsp) = wfnk%zk((j-1)*wfnk%nkpt+k,ispin*jsp) 1662 call MPI_Send(wfnk%zk((j-1)*wfnk%nkpt+1,ispin*jsp),wfnk%nkpt, & 1665 call MPI_Recv(wfnkoff%zk((ii-1)*wfnk%nkpt+1,jsp),wfnk%nkpt, & 1671 wfnkoff%zk((ii-1)*wfnk%nkpt+k,jsp) = wfnk%zk((j-1)*wfnk%nkpt+k,ispin*jsp) [all …]
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H A D | mtxel.f90 | 37 type (wfnkstates), intent(in) :: wfnk local 86 …call put_into_fftbox(wfnk%nkpt,wfnk%zk((nn-1)*wfnk%nkpt+1:,jsp),gvec%components,wfnk%isrtk,fftbox1…
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H A D | genwf_mpi.f90 | 233 type (wfnkstates), intent(inout) :: wfnk local 245 do ikg=1,wfnk%nkpt 246 …gmg0(:) = gvec%components(:,wfnk%isrtk(ikg)) - g0(:) ! ZL: MUST be consistent with input.f90, in … 247 call findvector(wfnk%isrtk(ikg), gmg0, gvec) 249 if (any(wfnk%isrtk(1:wfnk%nkpt)==0)) then
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H A D | input.f90 | 1212 SAFE_ALLOCATE(wfnk%isrtk, (gvec%ng)) 1269 wfnk%nkpt=kp%ngk(irk) 1271 wfnk%k(:)=qk(:) 1272 wfnk%isrtk(:)=isort(:) 1274 wfnk%ek(1:sig%ntband,k)= & 1276 wfnk%elda(1:sig%ntband,k)= & 1279 SAFE_ALLOCATE(wfnk%zk, (wfnk%ndv,sig%nspin*kp%nspinor)) 1280 wfnk%zk=ZERO 1429 g2=min(j+i*j,wfnk%ndv) 1434 wfnkmpi%cg(1:wfnk%ndv,k,ikn)=wfnk%zk(1:wfnk%ndv,k) [all …]
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H A D | shiftenergy.f90 | 24 type (wfnkstates), intent(in) :: wfnk local 59 dek = wfnk%elda(sig%diag(ii)-ncore_excl,ispin) - wfnk%elda(sig%diag(ii-1)-ncore_excl,ispin) 119 e_lk = wfnk%ek(sig%diag(jj)-ncore_excl,ispin) 160 efsto(jj,ispin) = wfnk%elda(sig%diag(jj)-ncore_excl,ispin) - & 162 dele = efsto(jj,ispin) - wfnk%ek(sig%diag(jj)-ncore_excl,ispin)
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H A D | write_result_dyn_hp.f90 | 26 type (wfnkstates), intent(in) :: wfnk local 62 e_lk = wfnk%ek(sig%diag(i)-ncore_excl,ispin) 97 write(8,901) sig%diag(i), wfnk%elda(sig%diag(i)-ncore_excl,ispin), & 98 wfnk%ek(sig%diag(i)-ncore_excl,ispin), dble(ax(i,ispin)), dble(asx(iwlda(i),i,ispin)), & 127 write(8,901) sig%diag(i), wfnk%elda(sig%diag(i)-ncore_excl,ispin), & 128 wfnk%ek(sig%diag(i)-ncore_excl,ispin), dble(ax(i,ispin)), dble(asx(iwlda(i),i,ispin)), &
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H A D | write_result_hp.f90 | 26 type (wfnkstates), intent(in) :: wfnk local 53 write(8,977) (sig%diag(i),wfnk%elda(sig%diag(i)-ncore_excl,ispin), & 54 wfnk%ek(sig%diag(i)-ncore_excl,ispin),dble(ax(i,ispin)),dble(asx(2,i,ispin)), & 62 write(8,975) (sig%diag(i),wfnk%elda(sig%diag(i)-ncore_excl,ispin), & 63 wfnk%ek(sig%diag(i)-ncore_excl,ispin),dble(ax(i,ispin)),dble(asx(2,i,ispin)), &
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H A D | shiftenergy_dyn.f90 | 23 type (wfnkstates), intent(in) :: wfnk local 76 dek = wfnk%elda(sig%diag(ii)-ncore_excl,ispin) - wfnk%elda(sig%diag(ii-1)-ncore_excl,ispin) 139 e_lk = wfnk%ek(sig%diag(jj)-ncore_excl,ispin) 219 efsto(jj,ispin) = wfnk%elda(sig%diag(jj)-ncore_excl,ispin) - & 226 … fmin(:) = wfnk%elda(sig%diag(jj)-ncore_excl,ispin) + asigt(:) - alda(jj,ispin) - freqs(:) 229 … fmin(:) = wfnk%elda(sig%diag(jj)-ncore_excl,ispin) + asigt_cor(:) - alda(jj,ispin) - freqs(:)
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H A D | write_result.f90 | 26 type (wfnkstates), intent(in) :: wfnk local 67 e_lk = wfnk%ek(sig%diag(i)-ncore_excl,ispin) 121 write(iunit,977) sig%diag(i), wfnk%elda(sig%diag(i)-ncore_excl,ispin), & 122 wfnk%ek(sig%diag(i)-ncore_excl,ispin), dble(alda(i,ispin)), dble(ax(i,ispin)), &
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H A D | write_result_dyn.f90 | 26 type (wfnkstates), intent(in) :: wfnk local 59 e_lk = wfnk%ek(sig%diag(i)-ncore_excl,ispin) 118 write(iunit,901) sig%diag(i), wfnk%elda(sig%diag(i)-ncore_excl,ispin), & 119 wfnk%ek(sig%diag(i)-ncore_excl,ispin), dble(alda(i,ispin)), &
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H A D | mtxel_cor.f90 | 59 indinv,isrtrqi,isrtrq,vcoul,crys,sig,wpg,wfnk,wfnkq,ncoulch, & argument 76 type (wfnkstates), intent(in) :: wfnk 389 e_lk = wfnk%ek(iband-sig%ncore_excl,ispin)
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/dports/chinese/rime-array/rime-array-d10f2f8b2aec7c7e736ace01e8a399e5ae5e7c3a/ |
H A D | array30_phrases.dict.yaml | 150288 好家伙 wfnk' 150289 好心人 wfnk'
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