/dports/science/berkeleygw/BGW-2.0.0/BSE/ |
H A D | vmtxel_main.f90 | 59 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 D | inteqp.f90 | 49 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 D | absp0.f90 | 107 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 D | diag.f90 | 72 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 D | input_q.f90 | 311 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 D | haydock.f90 | 70 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 D | absp_io.f90 | 234 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 D | intwfn.f90 | 72 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 D | intkernel.f90 | 771 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 D | nonlinearoptics.f90 | 45 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 D | typedefs.f90 | 702 integer, pointer :: indexq(:), indexq_fi(:) !< When exciton has finite center-of-mass momentum, component
|