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Searched refs:intwfnc (Results 1 – 13 of 13) sorted by relevance

/dports/science/berkeleygw/BGW-2.0.0/BSE/
H A Dinteqp.f9039 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)
H A Dvmtxel_main.f9047 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)
H A Dinput_kernel.f905 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)
H A Dgenwf_kernel.f905 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,:)
H A Dinput_fi.f9018 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,:,:)
H A Dkernel.f9051 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)
H A Dhaydock.f9055 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)
H A Ddiag.f9057 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)
H A Dintwfn.f9072 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.)
/dports/science/berkeleygw/BGW-2.0.0/Epsilon/
H A Dgenwf_eps.f90201 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 …]
H A Dgenwf_mpi.f9068 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)
H A Dinput.f9053 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 …]
H A Depsilon_main.f9057 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.)