| /dports/science/quantum-espresso/q-e-qe-6.7.0/LR_Modules/ |
| H A D | lanczos_nonhermitian.f90 | 45 INTEGER :: size_evc, ip local
47 size_evc = npwx_npol*nbnd_occ*nksq
75 CALL zscal(size_evc,cmplx(1.0d0/beta,0.0d0,kind=dp),qj(1,1,1,1),1)
76 CALL zscal(size_evc,cmplx(1.0d0/beta,0.0d0,kind=dp),Aqj(1,1,1,1),1)
78 CALL zscal(size_evc,cmplx(1.0d0/gamma,0.0d0,kind=dp),qj(1,1,1,2),1)
79 CALL zscal(size_evc,cmplx(1.0d0/gamma,0.0d0,kind=dp),Aqj(1,1,1,2),1)
110 CALL zaxpy(size_evc,-cmplx(beta,0.0d0,kind=dp),qjold(1,1,1,2),1,Aqj(1,1,1,2),1)
116 CALL zcopy(size_evc,qj(1,1,1,1),1,qjold(1,1,1,1),1) ! qjold = qj
117 CALL zcopy(size_evc,Aqj(1,1,1,1),1,qj(1,1,1,1),1) ! qj = Aqj
119 CALL zcopy(size_evc,qj(1,1,1,2),1,qjold(1,1,1,2),1) ! qjold = qj
[all …]
|
| H A D | lanczos_pseudohermitian.f90 | 46 INTEGER :: size_evc, ip local
48 size_evc = npwx_npol*nbnd_occ*nksq
76 CALL zscal(size_evc,cmplx(1.0d0/beta,0.0d0,kind=dp),qj(1,1,1),1)
77 CALL zscal(size_evc,cmplx(1.0d0/beta,0.0d0,kind=dp),Aqj(1,1,1),1)
107 CALL zaxpy(size_evc,-cmplx(gamma,0.0d0,kind=dp),qjold(1,1,1),1,Aqj(1,1,1),1)
113 CALL zcopy(size_evc,qj(1,1,1),1,qjold(1,1,1),1) ! qjold = qj
114 CALL zcopy(size_evc,Aqj(1,1,1),1,qj(1,1,1),1) ! qj = Aqj
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/ |
| H A D | lr_lanczos.f90 | 50 charge_response, size_evc, LR_polarization, LR_iteration
145 CALL zcopy(size_evc,evc1(1,1,1,1),1,evc1(1,1,1,2),1)
146 CALL zcopy(size_evc,evc1_new(1,1,1,1),1,evc1_new(1,1,1,2),1)
|
| H A D | lr_init_nfo.f90 | 23 USE lr_variables, ONLY : lr_verbosity, eels, size_evc, calculator, &
99 size_evc = nbnd * npwx * npol * nksq
|
| H A D | lr_read_wf.f90 | 28 & test_case_no, size_evc, project, &
129 size_evc = nbnd * npwx * npol * nksq
343 size_evc = nbnd_occ(1) * npwx * npol * nksq
|
| H A D | lr_variables.f90 | 28 INTEGER :: size_evc variable
|
| H A D | lr_apply_liouvillian.f90 | 42 & ltammd, size_evc, no_hxc, lr_exx, &
229 CALL zaxpy(size_evc,CMPLX(1.0d0,0.0d0,kind=DP),&
241 CALL zaxpy(size_evc,CMPLX(0.5d0,0.0d0,kind=DP),&
|