/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/ |
H A D | epa.f90 | 98 complex(dp), allocatable :: el_ph_sum(:,:) variable 215 allocate(el_ph_sum(nmodes, nmodes)) 296 el_ph_sum(:,:) = (0.0d0, 0.0d0) 305 el_ph_sum(ipert, jpert) = el_ph_sum(ipert, jpert) & 323 el_ph_sum(mu, vu) * dyn(vu, nu)) 334 el_ph_sum(:,:) = (0.0d0, 0.0d0) 349 el_ph_sum(ipert, jpert) = el_ph_sum(ipert, jpert) & 371 el_ph_sum(mu, vu) * dyn(vu, nu)) 393 el_ph_sum(ipert, jpert) = & 411 el_ph_sum(mu, vu) * dyn(vu, nu)) [all …]
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H A D | elph_tetra_mod.f90 | 66 COMPLEX(dp) :: el_ph_sum (3*nat,3*nat) local 143 el_ph_sum (ipert, jpert) = SUM(wght( 1:nbnd_fs, 1:nbnd_fs, ikks(1:nksq)) & 149 CALL mp_sum(el_ph_sum, inter_pool_comm) 151 CALL symdyn_munu_new (el_ph_sum, u, xq, s, invs, rtau, irt, at, bg, nsymq, nat, irotmq, minus_q) 164 & + REAL(CONJG(dyn(jpert, nu)) * el_ph_sum(jpert, ipert) * dyn(ipert, nu), dp) 251 dyn22(1:3*nat,1:3*nat) = el_ph_sum(1:3*nat,1:3*nat) 530 COMPLEX(dp) :: el_ph_sum (3*nat,3*nat,3*nat) local 600 el_ph_sum(ipert, jpert, nu) = SUM(wght(nu, 1:nbnd_fs, 1:nbnd_fs, ikks(1:nksq)) & 607 CALL mp_sum(el_ph_sum, inter_pool_comm) 610 CALL symdyn_munu_new (el_ph_sum(1:3 * nat,1:3 * nat, nu), u, xq, s, invs, & [all …]
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H A D | elphon.f90 | 741 COMPLEX(DP) :: el_ph_sum (3*nat,3*nat) local 1184 COMPLEX(DP) :: el_ph_sum (3*nat,3*nat), dyn_corr(3*nat,3*nat) local 1223 el_ph_sum(:,:) = (0.d0, 0.d0) 1258 el_ph_sum (ipert, jpert) = el_ph_sum (ipert, jpert) + weight * & 1276 call mp_sum ( el_ph_sum , inter_pool_comm ) 1283 CALL symdyn_munu_new (el_ph_sum, u, xq, s, invs, rtau, irt, at, & 1299 gamma = gamma + DBLE (CONJG (dyn (mu, nu) ) * el_ph_sum (mu, vu)&
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H A D | ep_matrix_element_wannier.f90 | 203 COMPLEX(DP) :: el_ph_sum (3*nat,3*nat), dyn_corr(3*nat,3*nat) local
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/dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/not_epw_comp/ |
H A D | elphon.f90 | 689 COMPLEX(DP) :: el_ph_sum (3*nat,3*nat) local 1101 complex(kind=DP) :: el_ph_sum (3*nat,3*nat) local 1130 el_ph_sum (ipert, jpert) = conjg (el_ph_mat (jbnd, ibnd, ik,ipert) ) * & 1137 call symdyn_munu2 (el_ph_sum, u, xq, s, invs, rtau, irt, at, & 1144 gamma = gamma + real (conjg (dyn (mu, nu) ) * el_ph_sum (mu,vu) & 1340 COMPLEX(DP) :: el_ph_sum (3*nat,3*nat), dyn_corr(3*nat,3*nat) local 1379 el_ph_sum(:,:) = (0.d0, 0.d0) 1414 el_ph_sum (ipert, jpert) = el_ph_sum (ipert, jpert) + weight * & 1432 call mp_sum ( el_ph_sum , inter_pool_comm ) 1439 CALL symdyn_munu_new (el_ph_sum, u, xq, s, invs, rtau, irt, at, & [all …]
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