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correct but in individual energies
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@ -15,7 +15,7 @@
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# Hartree-Fock = 666
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1 RMFL20
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# quadrature grid SG-n
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1
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3
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# Number of states in ensemble (nEns)
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2
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# Ensemble weights: wEns(1),...,wEns(nEns-1)
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@ -41,7 +41,6 @@ subroutine restricted_elda_correlation_individual_energy(nEns,aLF,nGrid,weight,r
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dFcdr = aLF(2)*r**(-1d0/6d0) + 2d0*aLF(3)*r**(-1d0/3d0)
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dFcdr = dFcdr/(1d0 + aLF(2)*r**(-1d0/6d0) + aLF(3)*r**(-1d0/3d0))
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dFcdr = ec_p*dFcdr/(6d0*r)
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dFcdr = ec_p + dFcdr*r
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Ec = Ec + weight(iG)*(ec_p*rI + dFcdr*r*rI - dFcdr*r*r)
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