diff --git a/src/nwdft/scf_dft/dft_scf.F b/src/nwdft/scf_dft/dft_scf.F index 1dbcee2e14..afe59e256a 100644 --- a/src/nwdft/scf_dft/dft_scf.F +++ b/src/nwdft/scf_dft/dft_scf.F @@ -258,6 +258,7 @@ c == initialize DIIS call counter == icall(2) = 0 c gcds = 0.d0 + egas = 0d0 do_cosmo_vem = 0 istep_cosmo_vem = 0 do_cosmo_smd = .false.