Skip to content
Permalink
Browse files

use all eigenvalues when inverting the overlap matrix in MP2/RPA/GW

  • Loading branch information
JWilhelm authored and fstein93 committed Mar 22, 2020
1 parent a068fe9 commit 4c2c608e86e261e86ea5f0f1f04758c9bb975ba7
Showing with 1 addition and 1 deletion.
  1. +1 −1 src/mp2.F
@@ -431,7 +431,7 @@ SUBROUTINE mp2_main(qs_env, calc_forces)
level_shift=0.0_dp, &
matrix_u_fm=null(), &
use_jacobi=.FALSE., &
jacobi_threshold=scf_control%diagonalization%jacobi_threshold)
jacobi_threshold=0.0_dp)
END IF

0 comments on commit 4c2c608

Please sign in to comment.
You can’t perform that action at this time.