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datatype fixed for trace

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This commit is contained in:
Loris Burth 2025-04-17 14:41:43 +02:00
parent 248bd930e3
commit abb499d779
1 changed files with 2 additions and 2 deletions
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4
src/GW/complex_qsRGW.f90
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@ -77,7 +77,7 @@ subroutine complex_qsRGW(dotest,maxSCF,thresh,max_diis,doACFDT,exchange_kernel,d
complex*16 :: EcGM
double precision :: Conv
double precision :: rcond
double precision,external :: complex_trace_matrix
complex*16,external :: complex_trace_matrix
complex*16 :: dipole(ncart)
double precision :: flow
@ -242,7 +242,7 @@ subroutine complex_qsRGW(dotest,maxSCF,thresh,max_diis,doACFDT,exchange_kernel,d
if(nSCF > 1) Conv = maxval(abs(err))
! Kinetic energy
write(*,*) complex_trace_matrix(nBas,P)
ET = complex_trace_matrix(nBas,matmul(P,T))
! Potential energy