Lines Matching refs:ndn
123 real*8 nup,ndn,n,agrup,agrdn,agr local
174 ndn = dn_in(j,2) + 0.5d0*ETA2
176 ndn_thrd = ndn**thrd
183 n = nup + ndn
187 ndn2 = ndn*ndn
238 sddn = 1.0d0/(ndn_thrd*ndn)
253 call gen_PBE96_x_unrestricted(ndn,agrdn,
256 call Becke_smalln_correction(ndn,ndn_thrd,1.0d0,
265 xe = (xeup*nup + xedn*ndn)/n
289 nupndn = nup*ndn
296 ndn_etthrd = ndn**etthrd
297 ndn_fvthrd = ndn**fvthrd
303 gamma_u = 4.0d0*ndn*n2_m - 8.0d0*nupndn*n3_m
306 gamma_uu = -16.0d0*ndn*n3_m + 24.0d0*nupndn*n4_m
377 & + (1.0d0/3.0d0)*(nup*G_d + ndn*G_u)
378 & + (1.0d0/4.0d0)*(nup*G_u + ndn*G_d))
381 & + (1.0d0/3.0d0)*(G_d + nup*G_du + ndn*G_uu)
382 & + (1.0d0/4.0d0)*(G_u + nup*G_uu + ndn*G_du))
385 & + (1.0d0/3.0d0)*(G_u + ndn*G_du + nup*G_dd)
386 & + (1.0d0/4.0d0)*(G_d + ndn*G_dd + nup*G_du))
390 & - (9.0d0/4.0d0)*ndn*G_d
392 & + (3.0d0/2.0d0)*ndn*G_u)
395 & - (9.0d0/4.0d0)*(ndn*G_du)
397 & + (3.0d0/2.0d0)*(ndn*G_uu))
400 & - (9.0d0/4.0d0)*(G_d+ndn*G_dd)
402 & + (3.0d0/2.0d0)*(G_u + ndn*G_du))
406 Hd = (a*b/18.0d0)*(G + (15.0d0/4.0d0)*ndn*G_d
408 & - (3.0d0)*ndn*G_u
410 Hd_d = (a*b/18.0d0)*(G_d + (15.0d0/4.0d0)*(G_d + ndn*G_dd)
412 & - (3.0d0)*(G_u + ndn*G_du)
414 Hd_u = (a*b/18.0d0)*(G_u + (15.0d0/4.0d0)*(ndn*G_du)
416 & - (3.0d0)*(ndn*G_uu)