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Searched refs:nk_sub (Results 1 – 4 of 4) sorted by relevance

/dports/science/berkeleygw/BGW-2.0.0/BSE/
H A Dsetup_bse_subsample.f90153 nk_sub=0
155 nk_sub=nk_sub+1
158 kp_sub(2,nk_sub) = kp_sub(2,nk_sub) + delta_fi(2)*nk_sub
159 kp_sub(1,nk_sub) = kp_sub(1,nk_sub) + delta_fi(1)*nk_sub
160 qshifts(2,nk_sub) = delta_fi(2)*nk_sub
161 qshifts(1,nk_sub) = delta_fi(1)*nk_sub
163 kp_sub(dir,nk_sub) = kp_sub(dir,nk_sub) + delta_fi(dir)*nk_sub
164 qshifts(dir,nk_sub) = delta_fi(dir)*nk_sub
173 do ik_sub=1,nk_sub
224 nk_new = gr%nf*(nk_sub)*(nk_sub+1)
[all …]
H A Dintkernel.f90138 integer :: nk_sub,nsub_files,isub,jk_sub,jkp_sub
458 read(77,*) nk_sub
459 write(6,'(1x,a,i6)') "Number of k-points per subsampled bsemat file = ",nk_sub
462 SAFE_ALLOCATE(bsedmt_sub, (xct%n1b_co,xct%n2b_co,xct%n1b_co,xct%n2b_co,xct%nkpt_co,nk_sub,4))
464 SAFE_ALLOCATE(kpoints_sub,(3,nk_sub,xct%nkpt_co))
465 SAFE_ALLOCATE(kpoints_sub_len,(nk_sub,xct%nkpt_co))
478 do jj=1,nk_sub
507 call MPI_BCAST(nk_sub, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, mpierr)
512 SAFE_ALLOCATE(kpoints_sub,(3,nk_sub,xct%nkpt_co))
513 SAFE_ALLOCATE(kpoints_sub_len,(nk_sub,xct%nkpt_co))
[all …]
H A Dintwfn.f90967 dcc_sub,dvv_sub,kg_sub_co,kg_co,indexq_fi,nk_sub,intwfnv,intwfnc,closepts) argument
981 integer, intent(in) :: nk_sub
1048 SAFE_ALLOCATE(normc, (xct%nkpt_fi,xct%ncb_fi,xct%nspin,xct%idimensions+1,nk_sub))
1049 SAFE_ALLOCATE(normv, (xct%nkpt_fi,xct%nvb_fi,xct%nspin,xct%idimensions+1,nk_sub))
1230 do ik_sub=1,nk_sub
1502 xct%n2b_co*xct%nspin*(xct%idimensions+1)*nk_sub,MPI_SCALAR,MPI_SUM,MPI_COMM_WORLD,mpierr)
1508 xct%n1b_co*xct%nspin*(xct%idimensions+1)*nk_sub,MPI_SCALAR,MPI_SUM,MPI_COMM_WORLD,mpierr)
1530 do ik_sub = 1,nk_sub
1567 do ik_sub=1,nk_sub
1587 do ik_sub=1,nk_sub
[all …]
H A Ddiag.f9092 integer ::ik_sub,nsub_files,nk_sub
234 read(77,*) nk_sub
244 … SAFE_ALLOCATE(dcc_sub,(xct%ncb_fi, xct%n2b_co, xct%nspin, xct%nkpt_fi,xct%idimensions+1, nk_sub))
245 … SAFE_ALLOCATE(dvv_sub,(xct%nvb_fi, xct%n1b_co, xct%nspin, xct%nkpt_fi,xct%idimensions+1, nk_sub))
248 dcc_sub,dvv_sub,kg_sub_co,kg_co,indexq_fi,nk_sub,intwfnv,intwfnc,closepts_sub)