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Searched refs:indexq_fi (Results 1 – 11 of 11) sorted by relevance

/dports/science/berkeleygw/BGW-2.0.0/BSE/
H A Dvmtxel_main.f9059 integer, allocatable :: indexq_fi(:) variable
140 SAFE_ALLOCATE(indexq_fi, (xct%nkpt_fi))
141 SAFE_ALLOCATE(xct%indexq_fi, (xct%nkpt_fi))
145 call input_q(kp_fi,crys,gvec,kg_fi,kgq_fi,kpq_fi,syms,xct,indexq_fi,eqp,&
175 ikq = indexq_fi(ik)
230 SAFE_DEALLOCATE(indexq_fi)
231 SAFE_DEALLOCATE_P(xct%indexq_fi)
H A Dinteqp.f9049 integer, allocatable :: fi2co_wfn(:,:),indexq_fi(:) variable
97 SAFE_ALLOCATE(indexq_fi, (xct%nkpt_fi))
98 SAFE_ALLOCATE(xct%indexq_fi, (xct%nkpt_fi))
103 call input_q(kp_fi,crys,gvec,kg_fi,kgq_fi,kpq_fi,syms,xct,indexq_fi,eqp,flag,intwfnv)
120 kco,fi2co_wfn,indexq_fi,eqp,intwfnv,intwfnc,intp_coefs)
H A Dabsp0.f90107 if (xct%indexq_fi(ik).eq.0 .and. xct%patched_sampling) cycle
108 omega = eqp%ecqp(ic,ik,is) - eqp%evqp(iv,xct%indexq_fi(ik),is)
109 omegalda = eqp%eclda(ic,ik,is) - eqp%evlda(iv,xct%indexq_fi(ik),is)
200 if (xct%indexq_fi(ik).eq.0 .and. xct%patched_sampling) cycle
201 fac = omega / ryd - eqp%ecqp(ic,ik,is) + eqp%evqp(iv,xct%indexq_fi(ik),is)
243 if (xct%patched_sampling .and. xct%indexq_fi(ik).eq.0) cycle
244 fac = -omega / ryd - eqp%ecqp(ic,ik,is) + eqp%evqp(iv,xct%indexq_fi(ik),is)
H A Ddiag.f9072 integer, allocatable :: fi2co_wfn(:,:),indexq_fi(:) local
201 SAFE_ALLOCATE(indexq_fi, (xct%nkpt_fi))
202 SAFE_ALLOCATE(xct%indexq_fi, (xct%nkpt_fi))
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)
302 ikq = indexq_fi(ik)
305 ikq = xct%indexq_fi(ik)
388 SAFE_DEALLOCATE(indexq_fi)
442 if (xct%indexq_fi(ik).eq.0 .and. xct%patched_sampling) cycle
451 if (xct%indexq_fi(ik).eq.0 .and. xct%patched_sampling) cycle
[all …]
H A Dinput_q.f90311 xct%indexq_fi(ik)= 0
327 xct%indexq_fi(ik)=ikq
378 if(xct%indexq_fi(ii) .eq.0) cycle
379 if (irkq == kgq%indr(xct%indexq_fi(ii))) then
435 if (xct%indexq_fi(peinf%ik(peinf%inode+1,ii)).eq.0) cycle
436 if(kgq%indr(xct%indexq_fi(peinf%ik(peinf%inode+1,ii))) == irkq) then
449 if (xct%indexq_fi(peinf%ik(jj,ii)).eq.0) cycle
450 if(kgq%indr(xct%indexq_fi(peinf%ik(jj,ii))) == irkq) then
H A Dhaydock.f9070 integer, allocatable :: fi2co_wfn(:,:),indexq_fi(:) local
136 SAFE_ALLOCATE(indexq_fi, (xct%nkpt_fi))
137 SAFE_ALLOCATE(xct%indexq_fi, (xct%nkpt_fi))
143 syms,xct,indexq_fi,eqp,flag,intwfnv)
161 dcc,dvv,kco,fi2co_wfn,indexq_fi,eqp,intwfnv,intwfnc,intp_coefs)
272 ikq = indexq_fi(ik)
322 SAFE_DEALLOCATE(indexq_fi)
H A Dabsp_io.f90234 if (xct%indexq_fi(ik).eq.0 .and. xct%patched_sampling) cycle
235 …10,'(4i6,6e16.8)') ik, ic, iv, is, eqp%ecqp(ic,ik,is)*ryd, eqp%evqp(iv,xct%indexq_fi(ik),is)*ryd, &
236 … (eqp%ecqp(ic,ik,is) - eqp%evqp(iv,xct%indexq_fi(ik),is))*ryd, abs(s0(ikcvs))**2, s0(ikcvs)
305 eqp%evqp(iv,xct%indexq_fi(ik),is) = ev / ryd
307 eqp%evlda(iv,xct%indexq_fi(ik),is) = ev / ryd
H A Dintwfn.f9072 dcc,dvv,kco,fi2co_wfn,indexq_fi,eqp,intwfnv,intwfnc,intp_coefs) argument
87 integer, intent(in) :: indexq_fi(:) !< xct%nkpt_fi
353 ikq_fi = indexq_fi(ik_fi)
355 ikq_fi = xct%indexq_fi(ik_fi)
571 … write(21,'(3f13.9,i8)') kgq_fi%f(1,xct%indexq_fi(ik_fi)),kgq_fi%f(2,xct%indexq_fi(ik_fi)), &
572 kgq_fi%f(3,xct%indexq_fi(ik_fi)),xct%nvb_fi*xct%nspin
980 integer, intent(in) :: indexq_fi(:) !< xct%nkpt_fi
1117 ikq_fi = indexq_fi(ik_fi)
1119 ikq_fi = xct%indexq_fi(ik_fi)
1412 ikq_fi = indexq_fi(ik_fi)
[all …]
H A Dintkernel.f90771 dvvkp(:,:,js) = transpose(dvv(:,:,js,xct%indexq_fi(ikp),ivertp))
924 … dvvkp_sub(:,:,js) = transpose(dvv_sub(:,:,js,xct%indexq_fi(ikp),ivertp_sub,1))
944 …dcc_sub(:,:,:,ik,ivert_sub,jk_sub), dcckp_sub, dvv_sub(:,:,:,xct%indexq_fi(ik),ivert_sub,jk_sub), &
956 dcc(:,:,:,ik,ivert), dcckp, dvv(:,:,:,xct%indexq_fi(ik),ivert), dvvkp, &
970 …dcc_sub(:,:,:,ik,ivert_sub,jk_sub), dcckp_sub, dvv_sub(:,:,:,xct%indexq_fi(ik),ivert_sub,jk_sub), &
982 dcc(:,:,:,ik,ivert), dcckp, dvv(:,:,:,xct%indexq_fi(ik),ivert), dvvkp, &
/dports/science/berkeleygw/BGW-2.0.0/NonLinearOptics/
H A Dnonlinearoptics.f9045 integer, allocatable :: indexq_fi(:), nmown(:), myown(:) variable
128 SAFE_ALLOCATE(indexq_fi, (xct%nkpt_fi))
132 call input_q(crys,gvec,kg_fi,kgq_fi,syms,xct,indexq_fi,flag%bzq)
164 ikq = indexq_fi(ik)
/dports/science/berkeleygw/BGW-2.0.0/Common/
H A Dtypedefs.f90702 integer, pointer :: indexq(:), indexq_fi(:) !< When exciton has finite center-of-mass momentum, component