| /dports/science/quantum-espresso/q-e-qe-6.7.0/CPV/src/ |
| H A D | metaxc.f90 | 10 SUBROUTINE tpssmeta(nnr, nspin,grho,rho,kedtau,etxc) argument
25 real(dp) :: etxc local
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| H A D | exch_corr.f90 | 369 subroutine exch_corr_cp(nnr,nspin,grhor,rhor,etxc) argument
379 real(DP) :: etxc local
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
| H A D | read_file_new.f90 | 166 REAL(DP) :: ehart, etxc, vtxc, etotefield, charge local
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| H A D | gradcorr.f90 | 10 SUBROUTINE gradcorr( rho, rhog, rho_core, rhog_core, etxc, vtxc, v ) argument
31 REAL(DP), INTENT(INOUT) :: vtxc, etxc local
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| H A D | v_of_rho.f90 | 10 ehart, etxc, vtxc, eth, etotefield, charge, v ) argument
45 REAL(DP), INTENT(OUT) :: etxc local
143 SUBROUTINE v_xc_meta( rho, rho_core, rhog_core, etxc, vtxc, v, kedtaur ) argument
174 REAL(DP), INTENT(INOUT) :: etxc local
336 SUBROUTINE v_xc( rho, rho_core, rhog_core, etxc, vtxc, v ) argument
366 REAL(DP), INTENT(OUT) :: etxc local
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| H A D | pwcom.f90 | 303 REAL(DP) :: etxc variable
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/pw4gww/ |
| H A D | energies_xc.f90 | 98 REAL(dp) :: etxc,vtxc local
227 REAL(kind=DP) :: etxc,vtxc,ehart, charge local
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/ |
| H A D | work_function.f90 | 29 REAL(DP) :: wmean1, wmean2, meancharge, wx1, wx2, wxm, wf, etxc, vtxc local
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| H A D | vasp_xml_module.f90 | 140 REAL(DP) :: rdum(1,1), ehart, etxc, vtxc, etotefield, charge local
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| H A D | ppacf.f90 | 114 REAL(DP) :: etxc, vtxc variable
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| /dports/science/atompaw/atompaw-4.1.1.0/src/ |
| H A D | ldagga_mod.F90 | 43 REAL(8) :: en1,etxc,eex local
224 REAL(8) :: eex,etot,etxc local
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| H A D | excor.F90 | 470 SUBROUTINE exch(Grid,den,rvxc,etxc,eexc,fin,v0,v0p,needvtau,tau,vtau) argument
485 REAL(8), INTENT(INOUT) :: rvxc(:),etxc,eexc local
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| H A D | general_mod.F90 | 211 REAL(8) :: ecoul,eex,etot,ekin,eone,h,x,v0,qcal,etxc,small,rescale,fpi local
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| H A D | aeatom.F90 | 838 REAL(8) :: en0,qcal,qf,rescale,z,small,zeff,ecoul,v0,etxc,eex local
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| H A D | abinitinterface.F90 | 1492 real(dp):: etxc,eexc,qeff,q00,rat local
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| H A D | pseudo.F90 | 1105 REAL(8) :: ecoul,etxc,eexc local
3172 REAL(8) :: h,qeff,tq,rat,q00,ecoul,etxc,eexc,occ,fac local
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/ |
| H A D | qexsd.f90 | 447 etot, eband, ehart, vtxc, etxc, ewald, degauss, demet, forces, & argument
460 etxc, ewald, scf_error, forces(3,nat), stress(3,3) local
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| H A D | xc_vdW_DF.f90 | 349 SUBROUTINE xc_vdW_DF (rho_valence, rho_core, etxc, vtxc, v) argument
361 REAL(DP), INTENT(INOUT) :: etxc, vtxc, v(:,:) !_ local
516 SUBROUTINE xc_vdW_DF_spin (rho_valence, rho_core, etxc, vtxc, v) argument
528 REAL(DP), INTENT(INOUT) :: etxc, vtxc, v(:,:) !_ local
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| H A D | xc_rVV10.f90 | 62 SUBROUTINE xc_rVV10(rho_valence, rho_core, nspin, etxc, vtxc, v, b_value_) argument
78 real(dp), intent(inout) :: etxc, vtxc, v(:,:) !_ local
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| H A D | qexsd_init.f90 | 915 SUBROUTINE qexsd_init_total_energy(obj, etot, eband, ehart, vtxc, etxc, ewald, degauss, demet, & argument
923 REAL(DP),INTENT(IN) :: etot, ehart,vtxc,etxc local
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| H A D | qes_init_module.f90 | 2903 SUBROUTINE qes_init_total_energy(obj, tagname, etot, eband, ehart, vtxc, etxc, ewald, demet,& argument
2914 REAL(DP),OPTIONAL,INTENT(IN) :: etxc local
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| H A D | qes_types_module.f90 | 990 REAL(DP) :: etxc component
|