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clean up RGWC

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This commit is contained in:
Pierre-Francois Loos 2024-02-08 16:42:44 +01:00
parent 959cc22535
commit 0e974dcfdb
2 changed files with 4 additions and 4 deletions
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4
src/GW/GW_plot_self_energy.f90
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@ -43,8 +43,8 @@ subroutine GW_plot_self_energy(nBas,eta,nC,nO,nV,nR,nS,eHF,eGW,Om,rho)
! Minimum and maximum frequency values ! Minimum and maximum frequency values
wmin = -5d0 wmin = -10d0
wmax = +5d0 wmax = +0d0
dw = (wmax - wmin)/dble(ngrid) dw = (wmax - wmin)/dble(ngrid)
do g=1,nGrid do g=1,nGrid

4
src/GW/RGWC.f90
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@ -29,7 +29,7 @@ subroutine RGWC(dotest,eta,nBas,nC,nO,nV,nR,nS,Om,rho,eHF,e,eGW,Z)
integer :: p,q,i,a,m integer :: p,q,i,a,m
integer :: iSat integer :: iSat
double precision :: num,eps double precision :: num,eps
double precision,parameter :: cutoff = 1d-2 double precision,parameter :: cutoff = 0d-3
logical,parameter :: do_hole_branch = .true. logical,parameter :: do_hole_branch = .true.
logical,parameter :: do_electron_branch = .false. logical,parameter :: do_electron_branch = .false.
@ -190,7 +190,7 @@ subroutine RGWC(dotest,eta,nBas,nC,nO,nV,nR,nS,Om,rho,eHF,e,eGW,Z)
! Construct grid ! Construct grid
nGrid = 1000 nGrid = 5000
allocate(w(nGrid),AGWC(nBas,nGrid)) allocate(w(nGrid),AGWC(nBas,nGrid))
! Minimum and maximum frequency values ! Minimum and maximum frequency values