/dports/science/berkeleygw/BGW-2.0.0/BSE/ |
H A D | inteqp.f90 | 39 type (int_wavefunction) :: intwfnc variable 83 call input_fi(crys,gvec,kg_fi,kp_fi,syms,eqp,xct,flag,omega_plasma,.false.,intwfnc) 120 kco,fi2co_wfn,indexq_fi,eqp,intwfnv,intwfnc,intp_coefs) 129 SAFE_DEALLOCATE_P(intwfnc%cgk) 131 SAFE_DEALLOCATE_P(intwfnc%isort)
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H A D | vmtxel_main.f90 | 47 type (int_wavefunction) :: intwfnc variable 128 omega_plasma,.true.,intwfnc,read_all_bands=.true.) 178 work,intwfnc,1,is_cond=.true.) 224 SAFE_DEALLOCATE_P(intwfnc%cgk) 226 SAFE_DEALLOCATE_P(intwfnc%isort)
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H A D | input_kernel.f90 | 5 intwfnv,intwfnc) argument 38 type (int_wavefunction), intent(out) :: intwfnc,intwfnv local 331 SAFE_ALLOCATE(intwfnc%cg, (kp%ngkmax,peinf%iownwfc(peinf%inode+1),kp%nspin*kp%nspinor)) 336 SAFE_ALLOCATE(intwfnc%isort, (gvec%ng,peinf%iownwfk(peinf%inode+1))) 337 SAFE_ALLOCATE(intwfnc%ng, (peinf%iownwfk(peinf%inode+1))) 340 intwfnc%nspin=kp%nspin 341 intwfnc%nspinor=kp%nspinor 463 intwfnc%cg(1:wfnc%ng,iwritec,is*isp)=cgarray(1:kp%ngk(irk)) 466 intwfnc%isort(1:gvec%ng,iwritek)=wfnc%isort(1:gvec%ng) 467 intwfnc%ng(iwritek)=kp%ngk(irk)
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H A D | genwf_kernel.f90 | 5 wfnc,wfnv,nspin,ik,ic,iv,indexq,xct,intwfnv,intwfnc) argument 32 type (int_wavefunction), intent(in) :: intwfnc,intwfnv local 227 cng = intwfnc%ng(ikown) 229 cns = intwfnc%nspin 230 cnsp = intwfnc%nspinor 282 isort(:)=intwfnc%isort(:,ikown) 285 ccg(1:cng,1,:) = intwfnc%cg(1:cng,icown,:) 288 ccg(1:cng,:,:) = intwfnc%cg(1:cng,icown:icown+xct%ncb_co-1,:)
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H A D | input_fi.f90 | 18 omega_plasma,is_diag,intwfnc,read_all_bands) argument 43 type (int_wavefunction), intent(out) :: intwfnc local 308 SAFE_ALLOCATE(intwfnc%ng, (peinf%ikt(peinf%inode+1))) 309 SAFE_ALLOCATE(intwfnc%isort, (gvec%ng,peinf%ikt(peinf%inode+1))) 310 SAFE_ALLOCATE(intwfnc%cgk, (kp%ngkmax,wfnc%nband,kp%nspin*kp%nspinor,peinf%ikt(peinf%inode+1))) 311 intwfnc%nspinor=wfnc%nspinor 468 intwfnc%ng(iwriteik(ijk))=wfnc%ng 469 intwfnc%isort(:,iwriteik(ijk))=wfnc%isort(:) 470 intwfnc%cgk(1:wfnc%ng,:,:,iwriteik(ijk))=wfnc%cg(1:wfnc%ng,:,:)
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H A D | kernel.f90 | 51 type (int_wavefunction) :: intwfnv,intwfnc variable 116 call input_kernel(crys,gvec,kg,kgq,kp,syms,xct,flagbz,intwfnv,intwfnc) 348 wfnv,xct%nspin,ik,ic,iv,indexq,xct,intwfnv,intwfnc) 354 wfnvp,xct%nspin,ikp,icp,ivp,indexq,xct,intwfnv,intwfnc) 418 SAFE_DEALLOCATE_P(intwfnc%cg) 420 SAFE_DEALLOCATE_P(intwfnc%isort) 422 SAFE_DEALLOCATE_P(intwfnc%ng)
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H A D | haydock.f90 | 55 type (int_wavefunction) :: intwfnc local 120 omega_plasma,.false.,intwfnc) 161 dcc,dvv,kco,fi2co_wfn,indexq_fi,eqp,intwfnv,intwfnc,intp_coefs) 276 work,intwfnc,xct%iwriteint,is_cond=.true.) 326 SAFE_DEALLOCATE_P(intwfnc%cgk) 328 SAFE_DEALLOCATE_P(intwfnc%isort)
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H A D | diag.f90 | 57 type (int_wavefunction) :: intwfnc local 155 omega_plasma,.true.,intwfnc) 228 kco,fi2co_wfn,indexq_fi,eqp,intwfnv,intwfnc,intp_coefs) 248 dcc_sub,dvv_sub,kg_sub_co,kg_co,indexq_fi,nk_sub,intwfnv,intwfnc,closepts_sub) 313 work,intwfnc,xct%iwriteint,is_cond=.true.) 355 SAFE_DEALLOCATE_P(intwfnc%cgk) 357 SAFE_DEALLOCATE_P(intwfnc%isort)
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H A D | intwfn.f90 | 72 dcc,dvv,kco,fi2co_wfn,indexq_fi,eqp,intwfnv,intwfnc,intp_coefs) argument 89 type (int_wavefunction), intent(inout) :: intwfnc 435 work,intwfnc,xct%iwriteint,is_cond=.true.) 967 dcc_sub,dvv_sub,kg_sub_co,kg_co,indexq_fi,nk_sub,intwfnv,intwfnc,closepts) argument 982 type (int_wavefunction), intent(inout) :: intwfnc 1127 intwfnc%nspinor=kp%nspinor 1130 work,intwfnc,xct%iwriteint,is_cond=.true.)
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/dports/science/berkeleygw/BGW-2.0.0/Epsilon/ |
H A D | genwf_eps.f90 | 201 type (int_wavefunction), intent(inout) :: intwfnc local 427 call free_wfns(pol, intwfnv, intwfnvq, intwfnc, .false.) 541 type (int_wavefunction), intent(inout) :: intwfnc local 660 call free_wfns(pol, intwfnv, intwfnvq, intwfnc, .false.) 819 type (int_wavefunction), intent(in) :: intwfnc local 840 subroutine free_wfns(pol, intwfnv, intwfnvq, intwfnc, free_all) argument 862 SAFE_DEALLOCATE_P(intwfnc%ng) 863 SAFE_DEALLOCATE_P(intwfnc%isort) 865 SAFE_DEALLOCATE_P(intwfnc%cg) 866 SAFE_DEALLOCATE_P(intwfnc%cbi) [all …]
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H A D | genwf_mpi.f90 | 68 type (int_wavefunction), intent(in) :: intwfnc local 307 ng = intwfnc%ng(ikrkq) 309 qk(:)=intwfnc%qk(:,ikrkq) 310 isortc(1:ng)=intwfnc%isort(1:ng,ikrkq) 362 iband = intwfnc%cbi(jband) 363 zinc(1:ng,1:kp%nspin*kp%nspinor)=intwfnc%cg(1:ng,jband,1:kp%nspin*kp%nspinor)
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H A D | input.f90 | 53 type (int_wavefunction), intent(out) :: intwfnc local 652 call read_wavefunctions(kp, gvec, pol, cwfn, vwfn, intwfnv, intwfnc) 1023 type (int_wavefunction), intent(out) :: intwfnc local 1049 SAFE_ALLOCATE(intwfnc%ng, (kp%nrk)) 1050 SAFE_ALLOCATE(intwfnc%isort, (kp%ngkmax,kp%nrk)) 1052 SAFE_ALLOCATE(intwfnc%cbi, (kp%nrk*peinf%ncownactual)) 1053 SAFE_ALLOCATE(intwfnc%qk, (3,kp%nrk)) 1085 intwfnc%ng(ik)=kp%ngk(ik) 1086 intwfnc%isort(1:kp%ngk(ik),ik)=isort(1:kp%ngk(ik)) 1087 intwfnc%qk(:,ik)=qk(:) [all …]
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H A D | epsilon_main.f90 | 57 type (int_wavefunction) :: intwfnc variable 162 call input(kp,crys,syms,gvec,pol,cwfn,vwfn,intwfnv,intwfnc,omega_plasma,gr) 266 call genwf_FFT_Isend(wfn_FFT_comm,crys,gvec,syms,kp,kpq,vwfn,pol,cwfn,intwfnv,intwfnvq,intwfnc) 835 … call genwf_gen(syms,gvec,crys,kp,kpq,irk,rk,qq,vwfn,pol,cwfn,use_WFNq,intwfnv,intwfnvq,intwfnc,iv) 1432 call free_wfns(pol, intwfnv, intwfnvq, intwfnc, .true.)
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