/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
H A D | s_1psi.f90 | 9 SUBROUTINE s_1psi( npwx, n, psi, spsi ) argument 27 INTEGER :: npwx local
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H A D | rotate_wfc.f90 | 10 SUBROUTINE rotate_wfc( npwx, npw, nstart, gstart, nbnd, psi, npol, overlap, evc, e ) argument 27 INTEGER, INTENT(IN) :: npwx local
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H A D | pwcom.f90 | 65 SUBROUTINE init_igk( npwx, ngm, g, gcutw ) argument 74 INTEGER, INTENT (IN) :: npwx, ngm local 261 INTEGER :: npwx variable
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/dports/science/quantum-espresso/q-e-qe-6.7.0/KS_Solvers/Davidson_RCI/ |
H A D | david_rci.f90 | 46 subroutine david_rci_work_alloc(npw, npwx, nvec, nvecx, npol, uspp, work) argument 47 integer, intent(in) :: npw, npwx, nvec, nvecx, npol local 94 …subroutine david_rci_run(npw, npwx, nvec, nvecx, npol, evc, ethr, uspp, e, btype, notcnv, lrot, da… argument 104 INTEGER, INTENT(IN) :: npw, npwx, nvec, nvecx, npol local
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/dports/science/quantum-espresso/q-e-qe-6.7.0/KS_Solvers/DENSE/ |
H A D | rotate_wfc_gamma.f90 | 11 npwx, npw, nstart, nbnd, psi, evc, e ) argument 30 INTEGER :: npw, npwx, nstart, nbnd local 153 npwx, npw, nstart, nbnd, psi, evc, e ) argument 172 INTEGER :: npw, npwx, nstart, nbnd local
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H A D | rotate_wfc_k.f90 | 11 npwx, npw, nstart, nbnd, npol, psi, evc, e ) argument 27 INTEGER, INTENT(IN) :: npw, npwx, nstart, nbnd, npol local 148 npwx, npw, nstart, nbnd, npol, psi, evc, e ) argument 164 INTEGER :: npw, npwx, nstart, nbnd, npol local
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H A D | rotate_HSpsi_k.f90 | 11 SUBROUTINE rotate_HSpsi_k( npwx, npw, nstart, nbnd, npol, psi, hpsi, overlap, spsi, e ) argument 29 npwx, & ! leading dimension of the wavefunction-related matrices local 192 SUBROUTINE protate_HSpsi_k( npwx, npw, nstart, nbnd, npol, psi, hpsi, overlap, spsi, e ) argument 211 npwx, & ! leading dimension of the wavefunction-related matrices local
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H A D | rotate_HSpsi_gamma.f90 | 11 SUBROUTINE rotate_HSpsi_gamma( npwx, npw, nstart, nbnd, psi, hpsi, overlap, spsi, e ) argument 32 npwx, & ! leading dimension of the wavefunction-related matrices local 185 SUBROUTINE protate_HSpsi_gamma( npwx, npw, nstart, nbnd, psi, hpsi, overlap, spsi, e ) argument 207 npwx, & ! leading dimension of the wavefunction-related matrices local
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/dports/science/quantum-espresso/q-e-qe-6.7.0/KS_Solvers/ParO/ |
H A D | paro_gamma.f90 | 43 npwx, npw, nbnd, evc, eig, btype, ethr, notconv, nhpsi ) argument 58 INTEGER, INTENT(IN) :: npw, npwx, nbnd local
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H A D | paro_k.f90 | 43 npwx, npw, nbnd, npol, evc, eig, btype, ethr, notconv, nhpsi ) argument 58 INTEGER, INTENT(IN) :: npw, npwx, nbnd, npol local
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H A D | pcg_gamma.f90 | 47 SUBROUTINE pcg_gamma( hs_1psi, g_1psi, psi0, spsi0, npw, npwx, nbnd, psi, ethr, iter, e, nhpsi ) argument 68 INTEGER, INTENT(IN) :: npw, npwx, nbnd, iter ! input dimensions and iteration count local
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H A D | pcg_k.f90 | 47 SUBROUTINE pcg_k( hs_1psi, g_1psi, psi0, spsi0, npw, npwx, nbnd, npol, psi, ethr, iter, e, nhpsi ) argument 68 INTEGER, INTENT(IN) :: npw, npwx, nbnd, npol, iter ! input dimensions and iteration count local
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H A D | paro_k_new.f90 | 43 npwx, npw, nbnd, npol, evc, eig, btype, ethr, notconv, nhpsi ) argument 59 INTEGER, INTENT(IN) :: npw, npwx, nbnd, npol local
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H A D | paro_gamma_new.f90 | 43 npwx, npw, nbnd, evc, eig, btype, ethr, notconv, nhpsi ) argument 59 INTEGER, INTENT(IN) :: npw, npwx, nbnd local
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H A D | bpcg_gamma.f90 | 46 SUBROUTINE bpcg_gamma( hs_psi, g_1psi, psi0, spsi0, npw, npwx, nbnd, nvec, psi, hpsi, spsi, ethr, e… argument 70 INTEGER, INTENT(IN) :: npw, npwx, nbnd, nvec ! input dimensions local
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H A D | bpcg_k.f90 | 46 SUBROUTINE bpcg_k( hs_psi, g_1psi, psi0, spsi0, npw, npwx, nbnd, npol, nvec, psi, hpsi, spsi, ethr,… argument 70 INTEGER, INTENT(IN) :: npw, npwx, nbnd, npol, nvec ! input dimensions local
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/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/pw4gww/ |
H A D | o_rinitcgg.f90 | 10 SUBROUTINE o_rinitcgg( npwx, npw, nstart, numwp, psi, o_evc, e, numv, v_states,hdiag,ptype,fcw_numb… argument 31 INTEGER :: npw, npwx, nstart, numwp local
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/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/bse/ |
H A D | cgsolve.f90 | 10 SUBROUTINE cgsolve (npw,evc,npwx,nbnd,overlap, & argument 28 INTEGER npw, npwx, nbnd, nbndx, niter, iter local
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/Gamma/ |
H A D | cgsolve.f90 | 10 SUBROUTINE cgsolve (operator,npw,evc,npwx,nbnd,overlap, & argument 23 INTEGER npw, npwx, nbnd, nbndx, niter, iter local
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/dports/science/quantum-espresso/q-e-qe-6.7.0/KS_Solvers/CG/ |
H A D | rcgdiagg.f90 | 11 npwx, npw, nbnd, psi, e, btype, & argument 36 INTEGER, INTENT(IN) :: npwx, npw, nbnd, maxter local
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H A D | ccgdiagg.f90 | 15 npwx, npw, nbnd, npol, psi, e, btype, & argument 40 INTEGER, INTENT(IN) :: npwx, npw, nbnd, npol, maxter local
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/gw/Transfer/ |
H A D | invertdielf.f90 | 162 subroutine locateelement(iqq,ipw1,ipw2,ngkpt,iqsymndx,npwc,npwx,nsym,pwsymndx,invpw2ndx,iipw) argument 164 integer :: nsym,npwc,npwx,ngkpt(3),pwcmin(3),pwcmax(3) local 243 subroutine mkinvpw2ndx(ipwndx,napwndx,npwx,invpw2ndx) argument 245 integer :: napwndx,npwx local
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/gw/Transfer/ |
H A D | invertdielf.f90 | 162 subroutine locateelement(iqq,ipw1,ipw2,ngkpt,iqsymndx,npwc,npwx,nsym,pwsymndx,invpw2ndx,iipw) argument 164 integer :: nsym,npwc,npwx,ngkpt(3),pwcmin(3),pwcmax(3) local 243 subroutine mkinvpw2ndx(ipwndx,napwndx,npwx,invpw2ndx) argument 245 integer :: napwndx,npwx local
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/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/ |
H A D | becmod.f90 | 156 INTEGER :: nkb, npwx, m local 214 INTEGER :: nkb, npwx, m local 274 INTEGER :: nkb, npwx, npol, m local
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/dports/science/quantum-espresso/q-e-qe-6.7.0/KS_Solvers/Davidson/ |
H A D | regterg.f90 | 14 npw, npwx, nvec, nvecx, evc, ethr, & argument 36 INTEGER, INTENT(IN) :: npw, npwx, nvec, nvecx local 508 npw, npwx, nvec, nvecx, evc, ethr, & argument 529 INTEGER, INTENT(IN) :: npw, npwx, nvec, nvecx local
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