Searched refs:rhoscf (Results 1 – 3 of 3) sorted by relevance
| /dports/science/siesta/siesta-4.1.5/Src/ |
| H A D | rhoofdsp.F90 | 148 rhoscf(:,:,:) = 0.0_grid_p
322 rhoscf(isp,ip,1) = rhoscf(isp,ip,1) + Dij(1)*Cij
323 rhoscf(isp,ip,2) = rhoscf(isp,ip,2) + Dij(2)*Cij
324 rhoscf(isp,ip,3) = rhoscf(isp,ip,3) + &
326 rhoscf(isp,ip,4) = rhoscf(isp,ip,4) + &
340 rhoscf(isp,ip,1) = rhoscf(isp,ip,1) + Dij(1)*Cij
341 rhoscf(isp,ip,2) = rhoscf(isp,ip,2) + Dij(2)*Cij
342 rhoscf(isp,ip,3) = rhoscf(isp,ip,3) + &
344 rhoscf(isp,ip,4) = rhoscf(isp,ip,4) + &
356 rhoscf(isp,ip,3) = rhoscf(isp,ip,3) + &
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| H A D | rhoofd.F90 | 19 Dscf, rhoscf, nuo, nuotot, iaorb, iphorb, isa ) argument
74 real(grid_p), intent(out) :: rhoscf(nsp,np,nspin) local
173 rhoscf(:,ip,:) = 0.0_grid_p
316 rhoscf(isp,ip,ispin) = rhoscf(isp,ip,ispin) + &
329 rhoscf(isp,ip,ispin) = rhoscf(isp,ip,ispin) + &
355 rhoscf(isp,ip,ispin) = rhoscf(isp,ip,ispin) + &
368 rhoscf(isp,ip,ispin) = rhoscf(isp,ip,ispin) + &
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| H A D | m_partial_charges.F | 161 . Datm, rhoatm, rhoscf, iaorb, iphorb, isa, qh )
199 real(grid_p) :: rhoatm(nsp,np),rhoscf(nsp,np,nspin)
253 . + Qi * rhoscf(isp,ip,ispin)/rhoatm(isp,ip)
266 . rhoatm, rhoscf, iaorb, qv )
300 real(grid_p) :: rhoatm(nsp,np),rhoscf(nsp,np,nspin)
392 . + (rhoscf(isp,ip,ispin) - (rhoatm(isp,ip)/nspin))/neq
399 qtot = qtot + rhoscf(isp,ip,ispin) + rhoatm(isp,ip)
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