diff --git a/src/GW/complex_qsRGW.f90 b/src/GW/complex_qsRGW.f90 index e35138f..c4a6b28 100644 --- a/src/GW/complex_qsRGW.f90 +++ b/src/GW/complex_qsRGW.f90 @@ -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