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beyond TDA for dynamic BSE

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This commit is contained in:
Pierre-Francois Loos 2020-05-20 16:49:16 +02:00
parent 0c6153de3f
commit 629a166e03
3 changed files with 106 additions and 147 deletions
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125
input/basis
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125
input/weight
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3
src/QuAcK/Bethe_Salpeter_dynamic_perturbation.f90
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@ -42,7 +42,8 @@ subroutine Bethe_Salpeter_dynamic_perturbation(TDA,eta,nBas,nC,nO,nV,nR,nS,eGW,O
! Memory allocation
allocate(OmDyn(nS),ZDyn(nS),X(nS),Y(nS),A_dyn(nS,nS),ZA_dyn(nS,nS))
if(TDA_dyn) allocate(B_dyn(nS,nS),ZB_dyn(nS,nS))
if(.not.TDA_dyn) allocate(B_dyn(nS,nS),ZB_dyn(nS,nS))
gapGW = eGW(nO+1) - eGW(nO)