Lines Matching refs:Dscf
93 subroutine new_dm( auxchanged, numh, listhptr, listh, Dscf) argument
111 real(dp), pointer :: Dscf(:,:) local
178 call re_alloc(Dscf,1,nnz,1,h_spin_dim,name="Dscf",
184 call initdm(Datm, Dscf, lasto, na_s,
228 call new_extrapol(no_l, numh, listhptr, listh, Dscf)
407 subroutine initdm(Datm, Dscf, lasto, maxa, argument
489 real(dp), pointer :: Dscf(:,:) local
534 h_spin_dim = size(Dscf,dim=2)
607 Dscf(:,:) = D_tmp(:,:)
619 $ D_tmp(:,is), Dscf(:,is),
757 Dscf(:,:) = 0.0d0
769 Dscf(ind,1) = 0.5d0 * Datm(io)
770 Dscf(ind,2) = Dscf(ind,1)
818 Dscf(ind,1) = (qio + spio * costh) / 2
819 Dscf(ind,2) = (qio - spio * costh) / 2
820 Dscf(ind,3) = spio * sinth * cosph / 2
821 Dscf(ind,4) = - spio * sinth * sinph / 2
823 Dscf(ind,5) = 0.0_dp
824 Dscf(ind,6) = 0.0_dp
825 Dscf(ind,7) = Dscf(ind,3)
826 Dscf(ind,8) = Dscf(ind,4)
829 Dscf(ind,1) = (qio + spio) / 2
830 Dscf(ind,2) = (qio - spio) / 2
850 Dscf(:,:) = 0.0d0
863 Dscf(ind,1) = Datm(iio)
879 Dscf(ind,i1) = min( Datm(iio), 1.d0 )
880 Dscf(ind,i2) = Datm(iio) - Dscf(ind,i1)
901 Dscf(ind,:) = Dscf(ind,:) / S(ind)
946 qspin(ispin) = qspin(ispin) + Dscf(ind,ispin) * S(ind)