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Searched refs:nvband (Results 1 – 24 of 24) sorted by relevance

/dports/science/berkeleygw/BGW-2.0.0/BSE/
H A Dmtxel_md.f9027 bsedbody(xct%nvband,peinf%nck,xct%nvband,peinf%nckpe,xct%nspin,xct%nspin), &
28 bsedhead(xct%nvband,peinf%nck,xct%nvband,peinf%nckpe,xct%nspin,xct%nspin), &
29 bsedwing(xct%nvband,peinf%nck,xct%nvband,peinf%nckpe,xct%nspin,xct%nspin), &
30 bsex(xct%nvband,peinf%nck,xct%nvband,peinf%nckpe,xct%nspin,xct%nspin)
104 SAFE_ALLOCATE(mvv, (xct%ng,xct%nvband,xct%nvband,xct%nspin))
158 do iv=1,xct%nvband
160 do ivp=1,xct%nvband
183 do iv=1,xct%nvband
250 do iv=1,xct%nvband
309 do ivp=1,xct%nvband
[all …]
H A Dinput_q.f90146 kpq%nvband=minval(kpq%ifmax(:,:)-kpq%ifmin(:,:))+1
153 kpq%nvband = xct%vmax-xct%vmin+1
158 write(6,*) '*** kpq%nvband =',kpq%nvband,' kpq%ncband =',kpq%ncband
181 if (xct%nvb_fi .gt. kpq%nvband .and. .not. read_all_bands_) then
H A Dinput_fi.f90117 kp%nvband=minval(kp%ifmax(:,:)-kp%ifmin(:,:))+1
124 kp%nvband = xct%vmax-xct%vmin+1
129 write(6,*) '*** kp%nvband =',kp%nvband,' kp%ncband =',kp%ncband
H A Dinput_co_q.f90108 kpq%nvband=minval(kpq%ifmax(:,:)-kpq%ifmin(:,:))+1
191 kpq%nvband=minval(kpq%ifmax(:,:)-kpq%ifmin(:,:))+1
H A Dinput_kernel.f9099 kp%nvband=minval(kp%ifmax(:,:)-kp%ifmin(:,:))+1
106 if(xct%nvb_co.gt.kp%nvband) then
H A Dinput_co.f90162 kp_co%nvband=minval(kp_co%ifmax(:,:)-kp_co%ifmin(:,:))+1
169 if(xct%nvb_co .gt. kp_co%nvband) then
H A Dintwfn.f901172 kp_sub%nvband=minval(kp_sub%ifmax(:,:)-kp_sub%ifmin(:,:))+1
1176 if(xct%nvb_co .gt. kp_sub%nvband) then
1203 kpq_sub%nvband=minval(kp_sub%ifmax(:,:)-kp_sub%ifmin(:,:))+1
1207 if(xct%nvb_co .gt. kpq_sub%nvband) then
H A Dhaydock.f90453 ikcvsd = bse_index(iblock, ic, iv, is, xct, ncband=peinf%nc_block, nvband=peinf%nv_block)
H A Ddiag.f90534 ikcvsd = bse_index(iblock, ic, iv, is, xct, ncband=peinf%nc_block, nvband=peinf%nv_block)
H A Dintkernel.f901116 ncband=peinf%nc_block, nvband=peinf%nv_block)
/dports/science/berkeleygw/BGW-2.0.0/NonLinearOptics/
H A Dinput.f9081 kp%nvband=minval(kp%ifmax(:,:)-kp%ifmin(:,:))+1
87 kp%nvband = xct%vmax-xct%vmin+1
105 if(xct%nvb_fi.gt.kp%nvband) then
239 if((ii.le.(kp%nvband+xct%ncb_fi)).and. &
240 (ii.gt.kp%nvband-xct%nvb_fi)) then
242 eqp%evlda(ii-kp%nvband+xct%nvb_fi,jj,kk)= &
247 if((ii.gt.kp%nvband-xct%nvb_fi).and. &
248 (ii.le.kp%nvband+xct%ncb_fi)) then
250 eqp%eclda(ii-kp%nvband+xct%nvb_fi,jj,kk)= &
408 if(ii.gt.(kp%nvband-xct%nvb_fi).and. &
[all …]
H A Dinput_q.f9073 kpq%nvband=minval(kpq%ifmax(:,:)-kpq%ifmin(:,:))+1
78 kpq%nvband = xct%vmax-xct%vmin+1
83 write(0,*) '*** New kpq%nvband=',kpq%nvband
87 if(xct%nvb_fi.gt.kpq%nvband) then
89 ' valence bands but WFNq_fi contains only ',kpq%nvband,'.'
270 if(ii.lt.(kpq%nvband+xct%ncb_fi+1).and.ii.gt.(kpq%nvband-xct%nvb_fi)) then
290 …wfnv%cg(1:wfnv%ng,ii-kpq%nvband+xct%nvb_fi,1:wfnv%nspin*wfnv%nspinor)=cg(1:wfnv%ng,1:wfnv%nspin*wf…
/dports/science/berkeleygw/BGW-2.0.0/PlotXct/
H A Dread_wannier.f9026 subroutine read_wannier(seedname, crys, kg, iwann, nvband, coefficients) argument
31 integer, intent(in) :: nvband !< number of valence bands in plotxct calculation local
56 if(num_bands < nvband) then
58 …write(0,'(a,9f11.6)') 'read ', num_bands, ' bands but need at least ', nvband, ' = number of valen…
131 do ib = 1, nvband
132 coefficients(ib, ik) = u_matrix(nvband - ib + 1, iwann, ikmatch)
H A Dinput_q.f9068 kpq%nvband=minval(kpq%ifmax(:,:)-kpq%ifmin(:,:))+1
69 if(xct%nvb_fi.gt.kpq%nvband) then
70 …,i6,a)') 'You requested ', xct%nvb_fi, ' valence bands but WFNq_fi contains only ', kpq%nvband, '.'
H A Dinput.f9077 kp%nvband=minval(kp%ifmax(:,:)-kp%ifmin(:,:))+1
80 if(xct%nvb_fi.gt.kp%nvband) then
81 …,a,i6,a)') 'You requested ', xct%nvb_fi, ' valence bands but WFN_fi contains only ', kp%nvband, '.'
H A Dinput_common.f9053 inp%nv_wfn = kpts%nvband
/dports/science/berkeleygw/BGW-2.0.0/MeanField/Utilities/
H A Ddegeneracy_check.f9056 kp%nvband=minval(kp%ifmax(:,:)-kp%ifmin(:,:))+1
64 SAFE_ALLOCATE(ok_vband,(kp%nvband - 1))
66 minvband = kp%nvband
76 minvband = min(minvband, kp%nvband)
/dports/science/berkeleygw/BGW-2.0.0/Common/
H A Dmisc.f90616 integer function bse_index(ik, ic, iv, is, xct, ncband, nvband)
620 integer, optional, intent(in) :: nvband !< default is xct%nvb_fi local
631 if(present(nvband)) then
632 nvband_ = nvband
H A Dtypedefs.f9044 integer :: nvband !< number of valence bands component
258 integer :: nvband !< number of bands in bare exchange component
/dports/science/berkeleygw/BGW-2.0.0/Sigma/
H A Dch_converge.f9057 if (sig%diag(i)-sig%ncore_excl .eq.sig%nvband) ivbm=i
58 if (sig%diag(i)-sig%ncore_excl .eq.sig%nvband+1) icbm=i
H A Dinput.f90280 if (sig%nvband==0 .and. (.not.ep_read)) then
281 sig%nvband = minval(kp%ifmax)
288 sig%nvband=sig%nvband-sig%ncore_excl
292 call MPI_Bcast(sig%nvband, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, mpierr)
298 …if (sig%ntband + sig%ncore_excl > max(maxval(sig%diag(1:sig%ndiag)), sig%nvband + sig%ncore_excl +…
300 sig%ntband = max(maxval(sig%diag(1:sig%ndiag))-sig%ncore_excl, sig%nvband + sig%ncrit)
341 write(6,'(1x,a,i0)') '- Number of fully occupied valence bands: ', sig%nvband
964 if(ii.le.(sig%nvband+sig%ncrit)) then
H A Dinread.f90115 sig%nvband=0
645 sig%nvband = count(band_occ==1)
647 if ((sig%nvband+sig%ncrit)==0) &
H A Dmtxel_cor.f901215 flag_occ = (n1true<=(sig%nvband+sig%ncrit)) &
2467 flag_occ = (n1true<=(sig%nvband+sig%ncrit)) &
2712 flag_occ = (n1true<=(sig%nvband+sig%ncrit)) &
/dports/science/berkeleygw/BGW-2.0.0/examples/DFT/Zn2O2/4_sig/reference/
H A DOUT.sig63 ntband = 1497 nvband = 26 ncrit = 0