Searched refs:excgga (Results 1 – 6 of 6) sorted by relevance
/dports/science/quantum-espresso/q-e-qe-6.7.0/atomic/src/ |
H A D | v_of_rho_at.f90 | 22 real(DP), intent(out) :: vh(ndmx), vxc(ndmx,2), exc(ndmx), excgga(ndmx), & local 71 excgga=0.0_DP 83 excgga(i) =egc(i)*fpi*grid%r2(i)
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H A D | new_potential.f90 | 20 use ld1inc, only : nwf, vx, vxc, exc, excgga, tau, vtau 108 excgga(i) = egc(i)*fpi*grid%r2(i) 114 excgga = 0.0_DP
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H A D | all_electron.f90 | 22 zed, zval, vxc, exc, excgga, v0, verbosity, & 51 call elsd (zed,grid,rho,vxt,vh,vxc,exc,excgga,nwf,nspin,enl,oc, &
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H A D | elsd.f90 | 29 excgga(ndmx) local 62 f3(i) = exc(i) * rhotot + excgga(i)
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H A D | elsdps.f90 | 25 vxc, exc, excgga 108 f3(i)= exc(i) * (rho_tot+rhoc(i)) + excgga(i)
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H A D | ld1inc.f90 | 254 excgga(ndmx), & ! the GGA exchange and correlation energy variable
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