Home
last modified time | relevance | path

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 Dv_of_rho_at.f9022 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)
H A Dnew_potential.f9020 use ld1inc, only : nwf, vx, vxc, exc, excgga, tau, vtau
108 excgga(i) = egc(i)*fpi*grid%r2(i)
114 excgga = 0.0_DP
H A Dall_electron.f9022 zed, zval, vxc, exc, excgga, v0, verbosity, &
51 call elsd (zed,grid,rho,vxt,vh,vxc,exc,excgga,nwf,nspin,enl,oc, &
H A Delsd.f9029 excgga(ndmx) local
62 f3(i) = exc(i) * rhotot + excgga(i)
H A Delsdps.f9025 vxc, exc, excgga
108 f3(i)= exc(i) * (rho_tot+rhoc(i)) + excgga(i)
H A Dld1inc.f90254 excgga(ndmx), & ! the GGA exchange and correlation energy variable